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bvse.dat
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cation cation_valence anion anion_valence Nc R0 Rcutoff D0 Rmin alpha
Li 1 O -2 5.021 1.17096 6 0.98816 1.940013 1.937984
A 1 O -2 5.021 1.17096 6 0.98816 1.940013 1.937984
Be 2 O -2 4 1.20903 5.5 2.768816 1.522169 1.848429
B 3 O -2 3.417 1.35761 4.5 2.389237 1.340034 2.597403
C 4 O -2 3 1.39826 5 4.791867 1.200889 2.237136
N 5 O -2 3 1.46267 5 6.276775 1.161424 2.222222
Na 1 O -2 6.52 1.56225 6 0.575227 2.374335 2.074689
Mg 2 O -2 5.897 1.48398 5.5 1.575539 1.956265 1.953125
Al 3 O -2 5.327 1.59901 5 1.803461 1.758058 2.358491
Si 4 O -2 4.1 1.60817 5 2.857198 1.535939 2.314815
P 5 O -2 4 1.62038 5 3.896352 1.44066 2.28833
S 6 O -2 4 1.6422 5 4.96726 1.381015 2.267574
Cl 7 O -2 4 1.67946 5 5.991005 1.348009 2.257336
K 1 O -2 8.846 1.94117 6 0.34985 2.766359 2.293578
Ca 2 O -2 7.544 1.79519 5.5 0.994291 2.32032 2.10084
Ga 3 O -2 4.905 1.71606 5 1.184556 1.79391 2.680965
Ge 4 O -2 4.305 1.73939 5 1.913747 1.66872 2.525253
As 5 O -2 4.029 1.76689 5 2.719344 1.581273 2.43309
Se 6 O -2 4 1.79866 5.5 3.448655 1.532871 2.403846
Br 7 O -2 4 1.83658 5.5 4.243387 1.502739 2.364066
Rb 1 O -2 10.02 2.08597 6.5 0.268127 2.896827 2.421308
Sr 2 O -2 9.4 1.95311 5.5 0.743506 2.535891 2.197802
In 3 O -2 6.024 1.90305 5 0.840758 2.024707 2.832861
Sn 4 O -2 6.069 1.89019 5 1.352679 1.934221 2.638522
Sb 5 O -2 6 1.89768 5.5 1.955227 1.863182 2.5
Te 6 O -2 6 1.91343 5.5 2.564057 1.808758 2.427184
I 7 O -2 5.8 1.92274 5.5 3.214242 1.741045 2.386635
Cs 1 O -2 11.79 2.25899 6.5 0.233071 3.131213 2.386635
Ba 2 O -2 10.32 2.15998 6 0.579936 2.737692 2.28833
Tl 3 O -2 5.22 2.06297 5 0.676365 2.106422 2.95858
Pb 4 O -2 5.74 2.03293 5 1.027186 2.028568 2.824859
Bi 5 O -2 6 2.04498 5 1.4405 1.985987 2.695418
C 2 O -2 1 1.41368 5 2.405528 1.030976 2.409639
N 3 O -2 2 1.40795 5 3.81089 1.137584 2.232143
P 3 O -2 3 1.51555 4.5 2.020615 1.410511 2.487562
S 4 O -2 3 1.64282 5.5 3.036723 1.411879 2.34192
As 3 O -2 3 1.76706 5 1.514929 1.645543 2.475248
Se 4 O -2 3 1.80095 5.5 2.380823 1.559575 2.34192
Sn 2 O -2 3.325 1.87499 5.5 0.972609 1.964197 2.183406
Sb 3 O -2 6 1.92036 5 1.177857 2.075258 2.364066
Te 4 O -2 3.396 1.9529 5.5 1.671694 1.752082 2.493766
I 5 O -2 3.1 1.97775 6 2.489472 1.644209 2.358491
Tl 1 O -2 8.03 1.91752 6 0.349987 2.77086 2.070393
Pb 2 O -2 7.541 2.01825 5.5 0.638333 2.441914 2.309469
Bi 3 O -2 6.058 2.03677 5.5 0.979037 2.183207 2.415459
Te 2 O -2 2 1.39168 6.5 2.626094 1.298928 1.633987
Sc 3 O -2 6.255 1.7322 5.5 2.156103 1.996147 2.024291
Ti 4 O -2 6 1.72394 5.5 2.813331 1.83144 1.988072
V 5 O -2 4.166 1.79445 5.5 3.695335 1.602577 1.960784
Cr 6 O -2 4 1.82471 5.5 3.687511 1.532511 2.10084
Mn 7 O -2 4 1.87362 6.5 4.916305 1.481714 1.923077
Fe 3 O -2 5.733 1.7084 5 1.66681 1.866468 2.380952
Co 3 O -2 6 1.59234 5.5 1.870235 1.776198 2.304147
Ni 2 O -2 5.933 1.5592 5.5 1.468407 1.924524 2.257336
Cu 2 O -2 2.56 1.57422 5 1.853408 1.566333 2.227171
Zn 2 O -2 4.718 1.65344 5 1.24031 1.885568 2.48139
Y 3 O -2 7.285 1.90384 5.5 1.627011 2.215228 2.09205
Zr 4 O -2 6.765 1.84505 5.5 2.191032 1.996025 2.040816
Nb 5 O -2 6.044 1.86588 5.5 2.723261 1.854586 2.008032
Mo 6 O -2 4.764 1.90934 5 1.991498 1.712544 2.557545
Tc 7 O -2 4 1.97036 6 4.041444 1.575183 1.945525
Ru 6 O -2 4.5 1.92579 5.5 2.421093 1.664311 2.352941
Rh 4 O -2 6 1.77675 5.5 1.627252 1.817932 2.48139
Pd 2 O -2 4 1.62359 5.5 1.739103 1.836711 2.008032
Ag 1 O -2 4.438 1.78239 5 0.635187 2.225785 2.538071
Cd 2 O -2 6.176 1.83926 5.5 0.983461 2.169398 2.457002
Lu 3 O -2 6.83 1.91728 5.5 1.194883 2.136 2.375297
Hf 4 O -2 7.105 1.83361 6 1.89992 1.999643 2.09205
Ta 5 O -2 6.09 1.86816 5.5 2.366685 1.85532 2.057613
W 6 O -2 5.688 1.90641 5 1.842666 1.777132 2.493766
Re 7 O -2 4.098 1.97792 6 3.555929 1.596339 1.968504
Os 8 O -2 5.333 1.97728 6 3.710191 1.661463 1.953125
Ir 5 O -2 6 1.89791 6 2.324762 1.83476 2.087683
Pt 2 O -2 4 1.51205 5.5 2.149986 1.801793 1.74216
Au 3 O -2 4 1.81761 5.5 1.969672 1.813123 2.008032
Hg 2 O -2 6.966 1.81276 5.5 1.128521 2.252751 2.150538
La 3 O -2 9.83 2.06392 5.5 1.185874 2.469886 2.217295
Ce 4 O -2 7.867 2.02821 5.5 1.484118 2.198725 2.257336
Pr 3 O -2 9.067 2.03652 5.5 1.170407 2.371126 2.277904
Nd 3 O -2 8.647 2.02425 5.5 1.132045 2.330162 2.336449
Ti 3 O -2 6 1.69766 5.5 1.978506 1.886194 2.173913
V 4 O -2 5.738 1.74932 5 2.080473 1.776375 2.347418
Cr 4 O -2 5.429 1.76095 5.5 1.933285 1.76209 2.444988
Mn 6 O -2 4 1.82018 5.5 2.822364 1.529314 2.403846
Fe 2 O -2 5.743 1.57911 5.5 1.692689 1.960053 2.083333
Co 4 O -2 4 1.79444 5.5 2.358037 1.679593 2.267574
Ni 4 O -2 6 1.72159 5 1.864513 1.765079 2.487562
Cu 3 O -2 4 1.70964 5 1.882423 1.708232 2.34192
Nb 4 O -2 6 1.78543 6 2.709602 1.859895 1.901141
Mo 5 O -2 5.98 1.8476 5.5 2.648016 1.786697 2.074689
Ru 5 O -2 6 1.87442 5.5 2.132078 1.815714 2.293578
Rh 3 O -2 6 1.67013 5.5 1.928259 1.869147 2.09205
Pd 4 O -2 5.333 1.805 5.5 2.042177 1.798133 2.227171
Ag 3 O -2 6.25 1.84687 5.5 1.52826 2.0348 2.252252
Ta 4 O -2 5.5 1.75632 6 2.756548 1.798256 1.831502
W 5 O -2 6 1.81975 6 2.615701 1.762615 2.008032
Re 6 O -2 5.5 1.91007 6 2.950986 1.711469 2.008032
Os 7 O -2 6 1.95775 5.5 2.919483 1.728686 2.087683
Ir 4 O -2 6 1.83233 5.5 1.686674 1.874017 2.293578
Hg 1 O -2 4.786 1.8128 5.5 0.739306 2.431553 2.150538
V 3 O -2 6 1.67799 5.5 1.82936 1.857967 2.277904
Cr 3 O -2 6 1.66198 5.5 1.773346 1.838872 2.325581
Mn 5 O -2 4 1.78879 5.5 2.464555 1.575774 2.421308
Fe 4 O -2 6 1.76559 5.5 1.872848 1.827859 2.439024
Co 2 O -2 5.506 1.59773 5.5 1.514761 1.933621 2.217295
Ni 3 O -2 6 1.64888 5.5 1.661905 1.818873 2.415459
Cu 1 O -2 2.56 1.5873 5 0.664171 1.782692 2.932551
Nb 3 O -2 6 1.74581 6 2.028483 1.951898 1.996008
Mo 4 O -2 6 1.7239 6.5 3.108069 1.850992 1.779359
Ru 4 O -2 6 1.79363 5.5 1.995133 1.840532 2.227171
Ag 2 O -2 5 1.72209 5.5 1.583396 2.041706 1.996008
W 4 O -2 6 1.74558 6 2.471141 1.819454 1.923077
Re 5 O -2 6 1.82664 6 2.41099 1.769141 2.087683
Os 6 O -2 6 1.93192 5.5 2.448709 1.782799 2.159827
Pt 4 O -2 6 1.82198 5.5 2.038254 1.871736 2.087683
Au 1 O -2 2 1.71819 5.5 0.853044 1.895429 2.267574
V 2 O -2 6 1.59976 5.5 1.640237 1.997526 2.096436
Cr 2 O -2 5.6 1.59356 5.5 1.691613 1.961299 2.083333
Mn 4 O -2 5.923 1.73272 5 1.858861 1.770446 2.487562
Co 1 O -2 2 1.29501 5.5 2.393481 1.640592 1.610306
Mo 3 O -2 5.7 1.78933 5.5 1.428262 1.929735 2.392344
Ru 3 O -2 6 1.72066 5.5 1.540613 1.8932 2.325581
Re 4 O -2 6 1.78237 6 2.316639 1.844971 1.972387
Pt 3 O -2 5 1.66559 5.5 2.359527 1.819377 1.831502
Cr 5 O -2 4 1.76781 5.5 2.365511 1.555463 2.487562
Mn 3 O -2 5.862 1.68993 5.5 1.812832 1.857862 2.28833
Os 4 O -2 6 1.75302 6 2.27524 1.812439 2.008032
Mn 2 O -2 5.91 1.62758 5.5 1.641434 2.029688 2.079002
Ce 3 O -2 9.147 2.03118 5.5 1.220483 2.37861 2.227171
Sm 3 O -2 8.119 2.01168 5.5 1.176217 2.295359 2.309469
Eu 3 O -2 7.743 2.00469 5.5 1.195447 2.268881 2.304147
Gd 3 O -2 8.052 1.99654 5.5 1.091613 2.271904 2.409639
Tb 3 O -2 7.958 1.95675 5.5 1.20764 2.235634 2.309469
Dy 3 O -2 7.828 1.96029 5.5 1.173498 2.226892 2.347418
Ho 3 O -2 7.5 1.97099 5.5 1.121573 2.211215 2.409639
Er 3 O -2 7.135 1.95608 5.5 1.123941 2.174771 2.427184
Tm 3 O -2 6.912 1.94901 5.5 1.181379 2.160417 2.375297
Yb 3 O -2 6.875 1.92872 5.5 1.219894 2.142197 2.347418
Yb 2 O -2 8 1.63254 5.5 1.384137 2.209419 1.960784
Eu 2 O -2 10.111 1.89158 6 1.130318 2.538459 2.024291
Tb 4 O -2 6 1.96244 6 1.701319 2.385063 2.024291
Th 4 O -2 8.941 2.04983 6 1.573737 2.310462 2.057613
U 6 O -2 6.987 2.02317 6 2.627524 1.992868 1.897533
Cl 5 O -2 3 1.69552 5.5 4.290893 1.356529 2.247191
Cl 3 O -2 2 1.72265 5.5 3.071187 1.384411 2.03666
Li 1 S -2 4.604 1.46652 6 1.04027 2.40971 1.531394
A 1 S -2 4.604 1.46652 6 1.04027 2.40971 1.531394
#Be 2 S -2 4 1.5784 6.5 5.102614 1.056091 -1.477105
B 3 S -2 3.417 1.78195 6 3.21881 1.798962 1.745201
C 4 S -2 3 1.84354 6 4.870252 1.618649 1.727116
Na 1 S -2 6.52 1.83088 6.5 0.630673 2.916205 1.615509
Mg 2 S -2 5.897 1.82372 6.5 1.645364 2.457529 1.540832
Al 3 S -2 5.327 2.05965 6 1.891546 2.302878 1.818182
Si 4 S -2 4.1 2.09975 6.5 2.948361 2.042192 1.785714
P 5 S -2 4 2.14917 6 3.939695 1.951558 1.766784
S 6 S -2 4 2.2 5.5 4.950597 1.896737 1.751313
K 1 S -2 8.846 2.16803 6.5 0.41168 3.315285 1.745201
Ca 2 S -2 7.544 2.11148 7 1.098221 2.835405 1.633987
Ga 3 S -2 4.905 2.12458 6 1.282374 2.268677 2.070393
Ge 4 S -2 4.305 2.19183 6 2.050539 2.142348 1.945525
As 5 S -2 4.029 2.27986 6.5 2.850033 2.079575 1.872659
Rb 1 S -2 10.02 2.30817 6.5 0.325038 3.460253 1.818182
Sr 2 S -2 9.4 2.26765 7 0.842963 3.081154 1.692047
In 3 S -2 6.024 2.30797 6 0.92204 2.515464 2.192982
Sn 4 S -2 6.069 2.36256 6 1.459465 2.466684 2.03252
Sb 5 S -2 6 2.44254 6 2.058532 2.441945 1.923077
Cs 1 S -2 11.79 2.52283 6.5 0.249303 3.667187 1.926782
Ba 2 S -2 10.32 2.44239 7 0.682017 3.267913 1.745201
P 3 S -2 3 1.96089 6 2.224943 1.859402 1.865672
As 3 S -2 3 2.20841 6 1.735537 2.095302 1.851852
Sn 2 S -2 3.325 2.32497 6 0.701776 2.431194 2.087683
Sb 3 S -2 6 2.36947 6 1.138983 2.597379 1.941748
Tl 1 S -2 8.03 2.3826 6 0.2208 3.182358 2.197802
Pb 2 S -2 7.541 2.38758 6 0.567913 2.905146 2.028398
Bi 3 S -2 6.058 2.41824 6.5 1.048372 2.656656 1.912046
Sc 3 S -2 6.255 2.0945 7 2.316425 2.475159 1.584786
Ti 4 S -2 6 2.17452 7 2.897523 2.350525 1.5625
V 5 S -2 4.166 2.29252 7 3.726229 2.088459 1.545595
#Cr 6 S -2 4 2.103 6.5 3.780483 2.289947 -1.533742
Ni 2 S -2 5.933 1.85695 5.5 1.253997 2.288097 2.024291
Cu 2 S -2 2.56 1.94997 6 1.430321 1.957596 2.04918
Zn 2 S -2 4.718 1.94373 6 1.485755 2.307582 1.851852
Y 3 S -2 7.285 2.25923 7 1.797063 2.710781 1.626016
Zr 4 S -2 6.765 2.26265 7 2.330585 2.500694 1.597444
#Mo 6 S -2 4.764 2.187 6.5 3.324576 2.251139 -1.560062
Pd 2 S -2 4 2.02559 5.5 0.921219 2.200028 2.277904
Ag 1 S -2 4.438 2.11006 5 0.392994 2.520847 2.739726
Cd 2 S -2 6.176 2.12789 5.5 1.13392 2.614981 1.883239
Lu 3 S -2 6.83 2.28119 7 1.388246 2.627609 1.795332
Hf 4 S -2 7.105 2.2355 7 2.057539 2.495677 1.626016
Ta 5 S -2 6.09 2.2786 6.5 2.543639 2.308695 1.607717
Pt 2 S -2 4 2.0245 5.5 0.845436 2.178404 2.283105
Hg 2 S -2 6.966 2.20501 5.5 0.806433 2.66333 2.114165
La 3 S -2 9.83 2.4033 6.5 1.358302 2.992782 1.70068
Pr 3 S -2 9.067 2.46496 6 1.017448 2.877435 2.004008
Nd 3 S -2 8.647 2.44624 6 1.072575 2.851212 1.960784
Ti 3 S -2 6 2.11813 6 1.415711 2.32404 2.09205
V 4 S -2 5.738 2.1676 6.5 1.951626 2.233445 1.953125
Fe 2 S -2 5.743 2.01111 5.5 1.036628 2.368789 2.188184
Nb 4 S -2 6 2.28012 5.5 1.101045 2.2928 2.427184
Ta 4 S -2 5.5 2.28935 5.5 1.010309 2.258914 2.439024
V 3 S -2 6 2.02622 6.5 1.588277 2.25755 2.004008
Cr 3 S -2 6 2.04397 5.5 1.627769 2.282954 1.968504
Co 2 S -2 5.506 1.99705 5.5 1.174488 2.374249 2.053388
Ni 3 S -2 6 1.95763 5.5 1.777739 2.215633 1.912046
Cu 1 S -2 2.56 1.80744 5 0.704448 2.08186 2.380952
W 4 S -2 6 2.22672 6 1.050809 2.246646 2.398082
Pt 4 S -2 6 2.19999 6 1.265783 2.249872 2.183406
Au 1 S -2 2 2.06404 4.5 0.368405 2.155176 2.923977
V 2 S -2 6 1.89815 6 1.092053 2.288101 2.169197
Cr 2 S -2 5.6 1.9093 5.5 1.089919 2.262838 2.183406
Mn 4 S -2 5.923 2.30057 6 1.997166 2.391923 1.865672
Mo 3 S -2 5.7 2.06172 6 1.519179 2.283669 1.926782
Re 4 S -2 6 2.268 6 1.098995 2.294802 2.320186
Mo 2 S -2 5.5 2.07169 5.5 0.797065 2.349596 2.369668
Mn 2 S -2 5.91 2.15468 5.5 0.783125 2.474786 2.463054
Re 3 S -2 6 2.2071 6 0.810667 2.332185 2.493766
Ce 3 S -2 9.147 2.50404 6 0.968018 2.904365 2.04499
Sm 3 S -2 8.119 2.4146 6 1.077495 2.782816 1.980198
Eu 3 S -2 7.743 2.39179 6 1.087691 2.734937 1.988072
Gd 3 S -2 8.052 2.37028 6 1.280701 2.797353 1.811594
Tb 3 S -2 7.958 2.36384 6 1.100521 2.724591 1.980198
Dy 3 S -2 7.828 2.34124 6 1.13993 2.703826 1.953125
Ho 3 S -2 7.5 2.33798 6 1.190448 2.691208 1.915709
Er 3 S -2 7.135 2.32366 6 1.220568 2.655055 1.904762
Tm 3 S -2 6.912 2.3107 6 1.196692 2.615977 1.937984
Yb 3 S -2 6.875 2.31245 6 1.176666 2.609189 1.956947
Yb 2 S -2 8 2.40079 6 0.617429 2.834914 2.34192
Eu 2 S -2 10.111 2.47173 6 0.621323 3.032226 2.257336
Th 4 S -2 8.941 2.45709 7 1.499684 2.809767 1.727116
Li 1 Se -2 5.118 1.62021 7 0.88750 2.68386 1.461988
A 1 Se -2 5.118 1.62021 7 0.88750 2.68386 1.461988
#Be 2 Se -2 4 1.7043 7 4.388588 1.163025 -1.412429
#B 3 Se -2 3.417 1.9187 6 3.152102 1.785319 -1.647446
Na 1 Se -2 6.52 1.8988 7 0.576407 3.046979 1.538462
#Mg 2 Se -2 5.897 1.7043 7 4.725019 0.881992 -1.412429
Al 3 Se -2 5.327 2.17392 6.5 1.73113 2.440109 1.718213
Si 4 Se -2 4.1 2.23551 5.5 2.133055 2.181429 1.890359
P 5 Se -2 4 2.43695 7 3.352569 2.231858 1.666667
K 1 Se -2 8.846 2.29712 7 0.373639 3.51499 1.655629
Ca 2 Se -2 7.544 2.20285 7 1.001348 2.972826 1.55521
Ga 3 Se -2 4.905 2.24723 6.5 1.179547 2.40959 1.949318
Ge 4 Se -2 4.305 2.33264 6 1.868512 2.289073 1.834862
Rb 1 Se -2 10.02 2.40364 7 0.298431 3.629609 1.724138
Sr 2 Se -2 9.4 2.36718 7 0.770499 3.2336 1.607717
In 3 Se -2 6.024 2.43051 6 0.85029 2.661292 2.066116
Sn 4 Se -2 6.069 2.50725 6 1.335624 2.62763 1.915709
Sb 5 Se -2 6 2.58978 7 1.880426 2.599348 1.814882
Cs 1 Se -2 11.79 2.64858 7 0.229573 3.87313 1.818182
Ba 2 Se -2 10.32 2.51975 7 0.712287 3.476334 1.540832
As 3 Se -2 3 2.34035 6.5 1.579204 2.229757 1.751313
Sb 3 Se -2 6 2.47586 6.5 1.055133 2.729272 1.831502
Tl 1 Se -2 8.03 2.39935 6.5 0.228618 3.317982 1.968504
Pb 2 Se -2 7.541 2.46755 6.5 0.532474 3.031456 1.908397
Bi 3 Se -2 6.058 2.54545 7 0.963506 2.808944 1.805054
#Cr 6 Se -2 4 2.3 7 3.289049 2.501378 -1.464129
Ni 2 Se -2 5.933 1.89863 6 1.184866 2.368628 1.904762
Cu 2 Se -2 2.56 2.02888 6 1.339462 2.047631 1.926782
Zn 2 Se -2 4.718 2.00075 6 1.385461 2.396213 1.751313
#Mo 6 Se -2 4.764 2.3824 6.5 2.900851 2.455649 -1.488095
Pd 2 Se -2 4 2.13063 6 0.867507 2.328957 2.123142
Ag 1 Se -2 4.438 2.17409 5 0.364436 2.619255 2.597403
Cd 2 Se -2 6.176 2.16209 6.5 1.065618 2.689779 1.782531
Hf 4 Se -2 7.105 2.37893 7.5 1.839029 2.659792 1.550388
Ta 5 Se -2 6.09 2.51263 7 2.205338 2.549483 1.529052
Pt 2 Se -2 4 2.16525 6 0.599859 2.295839 2.457002
Hg 2 Se -2 6.966 2.25179 6 0.766574 2.754918 1.984127
Pr 3 Se -2 9.067 2.52676 7 0.956529 2.978932 1.890359
Pd 4 Se -2 5.333 2.31115 6.5 1.490694 2.336285 1.923077
Ta 4 Se -2 5.5 2.36128 6 0.895197 2.338963 2.369668
V 3 Se -2 6 2.13686 6.5 1.464549 2.391889 1.886792
Cr 3 Se -2 6 2.14649 6 1.503457 2.409792 1.855288
Co 2 Se -2 5.506 2.10951 6 1.084223 2.519929 1.930502
Cu 1 Se -2 2.56 1.89561 5.5 0.665431 2.200809 2.217295
Pt 4 Se -2 6 2.30943 6 1.184141 2.374275 2.04499
Au 1 Se -2 2 2.17613 4 0.309936 2.270736 2.890173
Mn 2 Se -2 5.91 2.24751 5.5 0.727927 2.598448 2.320186
Ce 3 Se -2 9.147 2.52663 7 0.92697 2.970218 1.923077
Er 3 Se -2 7.135 2.4342 7 1.125706 2.796224 1.798561
Yb 3 Se -2 6.875 2.42113 7 1.088819 2.7472 1.845018
Yb 2 Se -2 8 2.62618 7 0.562768 3.098868 2.183406
Th 4 Se -2 8.941 2.5485 7.5 1.385614 2.932808 1.636661
Li 1 Te -2 4.333 1.71028 7 0.88544 2.73313 1.371742
A 1 Te -2 4.333 1.71028 7 0.88544 2.73313 1.371742
#Be 2 Te -2 4 1.8497 7 4.022722 1.283697 -1.328021
#B 3 Te -2 3.417 2.0982 6.5 3.018917 1.965185 -1.517451
Na 1 Te -2 6.52 2.03011 7 0.549276 3.269608 1.438849
#Mg 2 Te -2 5.897 1.9497 7 2.962016 1.160853 -1.470588
Al 3 Te -2 5.327 2.38658 7 1.657011 2.688729 1.582278
K 1 Te -2 8.846 2.41802 7 0.362353 3.742871 1.540832
#Ca 2 Te -2 7.544 2.3886 7 2.188266 1.397063 -1.451379
Ga 3 Te -2 4.905 2.44491 7 1.141133 2.63573 1.792115
Ge 4 Te -2 4.305 2.57461 7 1.782504 2.540892 1.686341
Rb 1 Te -2 10.02 2.43463 7.5 0.298622 3.779363 1.597444
#Sr 2 Te -2 9.4 2.5405 7 1.812178 1.418321 -1.497006
In 3 Te -2 6.024 2.62278 6.5 0.850959 2.89526 1.872659
Sn 4 Te -2 6.069 2.73112 7 1.291437 2.877902 1.760563
Cs 1 Te -2 11.79 2.78226 7.5 0.225509 4.127357 1.680672
Ba 2 Te -2 10.32 2.68807 7 0.606266 3.65307 1.540832
Ge 2 Te -2 4.305 2.26937 7 0.842876 2.614722 1.709402
As 3 Te -2 3 2.48812 7 1.536863 2.385037 1.623377
Sb 3 Te -2 6 2.73139 7 0.9996 3.018997 1.692047
Tl 1 Te -2 8.03 2.50518 6 0.213006 3.480158 1.883239
Bi 3 Te -2 6.058 2.82304 7 0.906776 3.120878 1.669449
Ti 4 Te -2 6 2.41793 7.5 2.501975 2.639068 1.396648
Cr 6 Te -2 4 2.609 8 3.737637 2.242906 1.371742
Ni 2 Te -2 5.933 2.11175 6.5 1.127862 2.632744 1.751313
Zn 2 Te -2 4.718 2.15126 7 1.333912 2.590758 1.623377
#Mo 6 Te -2 4.764 2.66 6.5 2.637957 2.749595 -1.3947
Ag 1 Te -2 4.438 2.34487 5 0.357046 2.845751 2.380952
Cd 2 Te -2 6.176 2.36683 7 1.017319 2.950242 1.647446
Ta 5 Te -2 6.09 2.71824 7 2.072226 2.772261 1.430615
Hg 2 Te -2 6.966 2.37917 7 0.760988 2.945194 1.821494
Cr 3 Te -2 6 2.30242 6.5 1.461856 2.602311 1.712329
Cu 1 Te -2 2.56 1.89529 6 0.70548 2.254788 2.012072
Cr 2 Te -2 5.6 2.18257 6.5 0.991672 2.618827 1.872659
Nb 2 Te -2 6 2.39087 6 0.598344 2.732389 2.232143
Ta 2 Te -2 6 2.20689 6 0.966348 2.705968 1.686341
Mn 2 Te -2 5.91 2.43113 6 0.71114 2.829003 2.12766
Sm 3 Te -2 8.119 2.71979 7 0.968805 3.173281 1.72117
Li 1 F -1 5.289 1.08674 6 0.49611 1.87265 1.968504
A 1 F -1 5.289 1.08674 6 0.49611 1.87265 1.968504
Be 2 F -1 4 1.14986 5.5 1.39717 1.4585 1.879699
B 3 F -1 3.417 1.19909 5 2.625262 1.208508 1.845018
C 4 F -1 3 1.37249 6 3.759427 1.146081 1.828154
N 5 F -1 3 1.40717 6 5.156374 1.055975 1.818182
Na 1 F -1 6.52 1.42885 5.5 0.295862 2.232158 2.109705
Mg 2 F -1 5.897 1.40956 5.5 0.796133 1.875696 1.984127
Al 3 F -1 5.327 1.4197 5.5 1.447303 1.64117 1.926782
Si 4 F -1 4.1 1.45654 5.5 2.362172 1.39289 1.890359
P 5 F -1 4 1.4761 7 3.28597 1.280179 1.869159
S 6 F -1 4 1.55 5 2.655352 1.291705 2.267574
K 1 F -1 8.846 1.83331 5.5 0.176234 2.645968 2.336449
Ca 2 F -1 7.544 1.71038 5.5 0.498644 2.226693 2.141328
Ga 3 F -1 4.905 1.56039 5.5 0.922174 1.684414 2.217295
Ge 4 F -1 4.305 1.57864 5.5 1.567311 1.521889 2.066116
As 5 F -1 4.029 1.60379 6 2.291271 1.405455 1.988072
Rb 1 F -1 10.02 1.99137 5.5 0.133404 2.785647 2.475248
Sr 2 F -1 9.4 1.86817 5.5 0.371198 2.440209 2.242152
In 3 F -1 6.024 1.75728 5.5 0.626012 1.933906 2.375297
Sn 4 F -1 6.069 1.75558 5.5 1.051935 1.839948 2.169197
Sb 5 F -1 6 1.76603 6 1.552674 1.753234 2.04499
Xe 6 F -1 4 1.86157 6 1.621152 1.565362 2.320186
Cs 1 F -1 11.79 2.15318 6 0.12472 3.052764 2.336449
Ba 2 F -1 10.32 2.06475 6 0.289369 2.631527 2.336449
Tl 3 F -1 5.22 1.857 5.5 0.345633 1.905526 3.076923
Pb 4 F -1 5.74 1.93428 5.5 0.76278 1.959449 2.358491
Bi 5 F -1 6 1.86984 5.5 1.137508 1.833638 2.232143
As 3 F -1 3 1.683 5 0.804158 1.565379 2.463054
Sb 3 F -1 6 1.83448 5.5 0.634722 1.999054 2.320186
Xe 4 F -1 4 1.85567 6.5 1.488549 1.712146 1.890359
Tl 1 F -1 8.03 1.82737 6 0.185412 2.702515 2.03666
Pb 2 F -1 7.541 1.90916 6 0.360632 2.365394 2.207506
Bi 3 F -1 6.058 1.93046 5.5 0.53418 2.088603 2.364066
Xe 2 F -1 4 1.77407 6.5 0.722521 2.0405 1.757469
Sc 3 F -1 6.255 1.65325 6 1.533224 1.913247 2.061856
Ti 4 F -1 6 1.6617 5.5 1.659907 1.748926 2.227171
Fe 3 F -1 5.733 1.63674 5 1.175592 1.791926 2.43309
Co 3 F -1 6 1.56345 5.5 1.395376 1.753918 2.257336
Ni 2 F -1 5.933 1.49655 5 1.10969 1.874661 2.212389
Cu 2 F -1 2.56 1.4953 5.5 1.423726 1.493666 2.188184
Zn 2 F -1 4.718 1.57447 5 0.925848 1.812843 2.463054
Y 3 F -1 7.285 1.89262 5.5 0.757641 2.11472 2.638522
Zr 4 F -1 6.765 1.83174 5.5 1.005776 1.927834 2.57732
Nb 5 F -1 6.044 1.76034 5.5 1.966109 1.751349 2.04499
Rh 4 F -1 6 1.68686 5.5 1.224679 1.733553 2.463054
Pd 2 F -1 4 1.56885 5.5 1.299983 1.793725 1.976285
Ag 1 F -1 4.438 1.58298 5 0.727114 2.196512 2.008032
Cd 2 F -1 6.176 1.73948 5.5 0.755986 2.084803 2.403846
Lu 3 F -1 6.83 1.80738 5.5 0.853953 2.023989 2.427184
Hf 4 F -1 7.105 1.7752 5.5 1.334791 1.937534 2.132196
Ta 5 F -1 6.09 1.79011 5.5 1.682167 1.778032 2.096436
Au 3 F -1 4 1.697 5.5 1.533484 1.706806 1.972387
Hg 2 F -1 6.966 1.7338 5.5 0.850135 2.187943 2.114165
La 3 F -1 9.83 1.96577 5.5 0.844511 2.366189 2.257336
Pr 3 F -1 9.067 1.91752 5.5 0.900775 2.268753 2.232143
Nd 3 F -1 8.647 1.91099 5.5 0.870992 2.232524 2.28833
Ti 3 F -1 6 1.6318 5.5 1.493295 1.829107 2.136752
Cr 4 F -1 5.429 1.64899 5 1.516679 1.658904 2.392344
Fe 2 F -1 5.743 1.50766 5.5 1.280077 1.902081 2.04499
Ni 4 F -1 6 1.61746 5.5 1.45655 1.670016 2.43309
Cu 3 F -1 4 1.54272 5.5 1.531932 1.554592 2.28833
Nb 4 F -1 6 1.75844 6 1.995819 1.840216 1.872659
Ru 5 F -1 6 1.77634 5.5 1.653541 1.724517 2.247191
Rh 3 F -1 6 1.63692 5.5 1.440772 1.843667 2.04918
Pd 4 F -1 5.333 1.68582 5.5 1.59323 1.688346 2.188184
Ag 3 F -1 6.25 1.71485 5.5 1.189009 1.916593 2.212389
Pt 5 F -1 6 1.78573 5.5 1.362673 1.734251 2.358491
Hg 1 F -1 4.786 1.76507 5.5 0.547747 2.401203 2.114165
V 3 F -1 6 1.61581 5.5 1.386802 1.804823 2.232143
Cr 3 F -1 6 1.58975 5.5 1.347343 1.775673 2.283105
Co 2 F -1 5.506 1.51442 5.5 1.155873 1.86403 2.173913
Ni 3 F -1 6 1.56869 5 1.275911 1.748854 2.364066
Ag 2 F -1 5 1.6378 5.5 1.195671 1.973406 1.964637
Ta 3 F -1 6 1.52314 6 1.747189 1.79512 1.801802
Pt 4 F -1 6 1.69132 5.5 1.597082 1.753192 2.04918
V 2 F -1 6 1.53303 5.5 1.232616 1.943136 2.061856
Cr 2 F -1 5.6 1.54102 5.5 1.26782 1.920471 2.04499
Mn 4 F -1 5.923 1.61606 5 1.45541 1.663202 2.439024
Mo 3 F -1 5.7 1.73819 5.5 1.078285 1.886081 2.34192
Os 5 F -1 6 1.75815 6 1.83525 1.705754 2.04918
Mn 3 F -1 5.862 1.59633 5.5 1.397213 1.775416 2.242152
Mn 2 F -1 5.91 1.56491 5.5 1.16586 1.962266 2.109705
Ce 3 F -1 9.147 1.92656 5.5 0.932803 2.289753 2.183406
Sm 3 F -1 8.119 1.88844 5.5 0.905474 2.187001 2.267574
Eu 3 F -1 7.743 1.87763 5.5 0.92616 2.15759 2.257336
Gd 3 F -1 8.052 1.90718 5.5 0.770786 2.177537 2.463054
Tb 3 F -1 7.958 1.83798 5.5 0.932919 2.132299 2.262443
#Dy 3 F -1 7.828 1.85 5.5 1.485846 1.296738 -2.298851
Ho 3 F -1 7.5 1.84485 5.5 0.871595 2.100218 2.358491
Er 3 F -1 7.135 1.84663 5.5 0.868164 2.078788 2.375297
Tm 3 F -1 6.912 1.81795 5.5 0.920982 2.044246 2.325581
Yb 3 F -1 6.875 1.80974 5.5 0.945748 2.037278 2.298851
Eu 2 F -1 10.111 1.8142 5.5 0.847162 2.482968 1.988072
Th 4 F -1 8.941 2.40121 7 1.270178 2.697147 1.782531
Li 1 Cl -1 5.258 1.39892 7 0.49302 2.39647 1.577287
A 1 Cl -1 5.258 1.39892 7 0.49302 2.39647 1.577287
Be 2 Cl -1 4 1.52729 6.5 1.323436 1.9291 1.517451
#B 3 Cl -1 3.417 1.675 6 2.579816 1.529824 -1.494768
Na 1 Cl -1 6.52 1.69489 6.5 0.315458 2.748011 1.663894
Mg 2 Cl -1 5.897 1.78276 6.5 0.796023 2.393298 1.587302
Al 3 Cl -1 5.327 1.89795 6.5 1.367335 2.197469 1.547988
P 5 Cl -1 4 2.01093 7 2.935183 1.791686 1.510574
K 1 Cl -1 8.846 2.07673 6.5 0.201068 3.184081 1.801802
Ca 2 Cl -1 7.544 2.06262 6.5 0.53146 2.759777 1.683502
Ga 3 Cl -1 4.905 1.97794 6.5 0.959766 2.170468 1.730104
Ge 4 Cl -1 4.305 2.07619 6 1.521374 2.033413 1.639344
Rb 1 Cl -1 10.02 2.26585 6.5 0.155502 3.370857 1.883239
Sr 2 Cl -1 9.4 2.20197 6.5 0.408921 2.985294 1.745201
In 3 Cl -1 6.024 2.13474 6.5 0.695073 2.409564 1.824818
Sn 4 Cl -1 6.069 2.17643 6.5 1.106595 2.32334 1.70068
Sb 5 Cl -1 6 2.2232 6.5 1.572233 2.243372 1.623377
Cs 1 Cl -1 11.79 2.46037 6.5 0.119331 3.555351 2
Ba 2 Cl -1 10.32 2.41041 6.5 0.290875 3.143075 1.926782
Tl 3 Cl -1 5.22 2.22567 6 0.56302 2.389021 1.945525
S 4 Cl -1 3 2.05269 6.5 1.591239 1.791962 1.834862
Ga 1 Cl -1 4.905 2.3204 6 0.14014 2.871349 2.272727
As 3 Cl -1 3 2.06175 6 0.870752 1.951235 1.915709
Se 4 Cl -1 3 2.15849 6.5 1.304935 1.89237 1.834862
In 1 Cl -1 6.024 2.43863 6 0.105153 3.015535 2.421308
Sb 3 Cl -1 6 2.30831 6 0.544277 2.520874 2.016129
Te 4 Cl -1 3.396 2.30563 6.5 0.951857 2.09621 1.930502
Tl 1 Cl -1 8.03 2.36792 6 0.126355 3.237936 2.03666
Pb 2 Cl -1 7.541 2.34641 5.5 0.268937 2.83552 2.109705
Bi 3 Cl -1 6.058 2.34105 6 0.50612 2.565353 1.980198
Sc 3 Cl -1 6.255 2.1133 6.5 1.541393 2.474212 1.633987
Ti 4 Cl -1 6 2.12577 6 1.346432 2.244649 1.972387
#Cr 6 Cl -1 4 2.007 6.5 2.648568 2.185395 -1.577287
Fe 3 Cl -1 5.733 1.98266 6 1.322259 2.228926 1.858736
Ni 2 Cl -1 5.933 1.87666 5.5 0.825239 2.282632 2.10084
Cu 2 Cl -1 2.56 1.90175 5.5 0.964976 1.903186 2.12766
Zn 2 Cl -1 4.718 1.88195 6 1.012812 2.228172 1.919386
Y 3 Cl -1 7.285 2.28867 6.5 0.812042 2.616424 2.070393
Zr 4 Cl -1 6.765 2.18437 6.5 1.61247 2.41089 1.644737
Nb 5 Cl -1 6.044 2.20986 6.5 1.996217 2.234964 1.623377
#Mo 6 Cl -1 4.764 2.0888 6.5 2.320539 2.147333 -1.607717
Pd 2 Cl -1 4 1.99818 5 0.61099 2.157132 2.375297
Ag 1 Cl -1 4.438 1.98819 5 0.387504 2.497296 2.331002
Cd 2 Cl -1 6.176 2.0695 6 0.769487 2.533294 1.953125
Lu 3 Cl -1 6.83 2.284 6 0.617863 2.522817 2.309469
Hf 4 Cl -1 7.105 2.2444 6.5 0.924292 2.423017 2.070393
Ta 5 Cl -1 6.09 2.21442 6.5 1.749379 2.23829 1.655629
W 6 Cl -1 5.688 2.21497 7 2.141315 2.09029 1.620746
Pt 2 Cl -1 4 1.97699 5.5 0.65892 2.142168 2.192982
Au 3 Cl -1 4 2.14532 5.5 0.69387 2.123675 2.375297
Hg 2 Cl -1 6.966 2.17009 5.5 0.539918 2.602861 2.197802
La 3 Cl -1 9.83 2.43099 6 0.612367 2.860323 2.178649
Pr 3 Cl -1 9.067 2.48619 5.5 0.449895 2.767658 2.583979
Ti 3 Cl -1 6 2.13089 6 0.925547 2.317792 2.178649
Fe 2 Cl -1 5.743 2.00003 5 0.686296 2.334636 2.277904
Rh 3 Cl -1 6 2.03722 5 0.797203 2.211713 2.272727
Pd 4 Cl -1 5.333 2.12662 6 1.088684 2.133809 2.12766
W 5 Cl -1 6 2.24489 6 0.871662 2.172085 2.380952
Hg 1 Cl -1 4.786 2.17341 5.5 0.365096 2.721804 2.197802
Ti 2 Cl -1 6 2.03427 5.5 0.644954 2.372399 2.331002
V 3 Cl -1 6 2.06334 5.5 1.031449 2.274479 2.083333
Cr 3 Cl -1 6 2.0051 5.5 1.092685 2.228283 2.04499
Co 2 Cl -1 5.506 1.93137 5.5 0.795676 2.288535 2.136752
Cu 1 Cl -1 2.56 1.79822 5 0.462969 2.052044 2.487562
Zr 2 Cl -1 6.765 2.12072 6 0.670128 2.53539 2.09205
Mo 4 Cl -1 6 2.1283 6.5 1.489813 2.197852 1.792115
Ir 3 Cl -1 6 2.05823 5.5 0.612349 2.194093 2.487562
Pt 4 Cl -1 6 2.1411 6 0.851686 2.182212 2.272727
V 2 Cl -1 6 2.03267 5.5 0.679979 2.388641 2.262443
Cr 2 Cl -1 5.6 2.01499 5.5 0.685419 2.337625 2.277904
Mn 4 Cl -1 5.923 2.06541 6.5 1.457267 2.156547 1.934236
Mo 3 Cl -1 5.7 2.08941 6 0.996785 2.293329 1.996008
Tc 4 Cl -1 6 2.15861 6 1.046765 2.219262 2.12766
Ru 3 Cl -1 6 1.9952 5.5 0.981474 2.218867 2.04499
W 3 Cl -1 6 2.12237 5 0.672476 2.264711 2.336449
Re 4 Cl -1 6 2.18513 5.5 0.739216 2.204421 2.427184
Mo 2 Cl -1 5.5 2.05175 5.5 0.616601 2.345416 2.267574
Os 4 Cl -1 6 2.15572 6 0.779449 2.182969 2.375297
Mn 2 Cl -1 5.91 1.99681 6 0.821608 2.409777 2.04918
Re 3 Cl -1 6 2.15781 5.5 0.639211 2.294331 2.380952
Eu 3 Cl -1 7.743 2.31998 6 0.739494 2.644542 2.061856
Gd 3 Cl -1 8.052 2.27126 6 0.881597 2.679082 1.876173
Tb 3 Cl -1 7.958 2.29526 6 0.745002 2.635827 2.057613
Dy 3 Cl -1 7.828 2.2881 6 0.768339 2.629921 2.028398
Er 3 Cl -1 7.135 2.25982 6 0.830373 2.573621 1.972387
Yb 2 Cl -1 8 2.29464 5.5 0.419744 2.705315 2.444988
Eu 2 Cl -1 10.111 2.41447 5.5 0.416527 2.943683 2.352941
Li 1 Br -1 5.263 1.51288 7 0.44910 2.58255 1.481481
A 1 Br -1 5.263 1.51288 7 0.44910 2.58255 1.481481
#Be 2 Br -1 4 1.6581 7 2.215989 1.122546 -1.430615
#B 3 Br -1 3.417 1.821 6.5 2.291796 1.675041 -1.410437
Na 1 Br -1 6.52 1.78228 7 0.292879 2.915883 1.560062
Mg 2 Br -1 5.897 1.89059 7 0.733669 2.551036 1.490313
Al 3 Br -1 5.327 2.04045 7 1.242373 2.36878 1.455604
K 1 Br -1 8.846 2.17206 7 0.188913 3.373219 1.680672
#Ca 2 Br -1 7.544 2.1686 7 1.165036 1.242057 -1.577287
Ga 3 Br -1 4.905 2.11352 6.5 0.887656 2.330935 1.615509
Rb 1 Br -1 10.02 2.34362 7 0.14833 3.55125 1.748252
#Sr 2 Br -1 9.4 2.3125 7 0.95906 1.265723 -1.628664
In 3 Br -1 6.024 2.28936 6.5 0.645222 2.596929 1.697793
Cs 1 Br -1 11.79 2.50818 7 0.115797 3.714691 1.848429
#Ba 2 Br -1 10.32 2.486 7 0.74336 1.399882 -1.680672
Tl 3 Br -1 5.22 2.35992 6 0.532392 2.550956 1.801802
Se 4 Br -1 3 2.32723 7 1.200099 2.05318 1.709402
In 1 Br -1 6.024 2.46665 6 0.106082 3.128138 2.202643
Sb 3 Br -1 6 2.38165 7 0.529405 2.630872 1.862197
Te 4 Br -1 3.396 2.46108 7 0.894624 2.249368 1.788909
Tl 1 Br -1 8.03 2.42772 6 0.102033 3.27736 2.096436
Pb 2 Br -1 7.541 2.4316 6 0.261373 2.982711 1.941748
Bi 3 Br -1 6.058 2.46708 7 0.480534 2.725316 1.834862
#Cr 6 Br -1 4 2.224 6.5 2.339341 2.421694 -1.48368
Fe 3 Br -1 5.733 2.13627 6.5 1.22157 2.411656 1.730104
Ni 2 Br -1 5.933 1.96729 6 0.791638 2.421615 1.937984
Zn 2 Br -1 4.718 1.98741 6 0.958104 2.373518 1.779359
Y 3 Br -1 7.285 2.40922 6.5 0.7734 2.778819 1.915709
Zr 4 Br -1 6.765 2.32815 7 1.481279 2.581699 1.54321
#Mo 6 Br -1 4.764 2.3037 6.5 2.064478 2.374953 -1.508296
Pd 2 Br -1 4 2.10183 5.5 0.599388 2.293259 2.164502
Ag 1 Br -1 4.438 2.03699 5.5 0.384726 2.614612 2.12766
Cd 2 Br -1 6.176 2.16913 6 0.733475 2.684989 1.808318
Au 3 Br -1 4 2.27911 5.5 0.673499 2.271943 2.169197
Hg 2 Br -1 6.966 2.25138 6 0.525569 2.740738 2.020202
Fe 2 Br -1 5.743 2.09517 5.5 0.666987 2.476774 2.087683
Ti 2 Br -1 6 2.15487 6 0.625835 2.541373 2.12766
Cr 3 Br -1 6 2.13165 6.5 1.037691 2.387051 1.886792
Cu 1 Br -1 2.56 1.8681 5.5 0.459534 2.164436 2.262443
W 4 Br -1 6 2.3517 6.5 0.67355 2.378816 2.277904
V 2 Br -1 6 2.10218 6 0.669272 2.509714 2.070393
Cr 2 Br -1 5.6 2.12678 6 0.66474 2.495533 2.083333
Mo 3 Br -1 5.7 2.19147 6 0.951252 2.426733 1.848429
Mo 2 Br -1 5.5 2.22218 5.5 0.418518 2.474296 2.493766
W 2 Br -1 6 1.95717 7 0.966423 2.546409 1.545595
Os 4 Br -1 6 2.30615 6 0.751339 2.351622 2.169197
Mn 2 Br -1 5.91 2.08701 6 0.787476 2.54896 1.893939
Re 3 Br -1 6 2.30419 5.5 0.524717 2.443614 2.369668
Eu 2 Br -1 10.111 2.50011 6 0.409845 3.10151 2.150538
Li 1 I -1 5.000 1.64829 7 0.44117 2.78807 1.360544
A 1 I -1 5.000 1.64829 7 0.44117 2.78807 1.360544
#Be 2 I -1 4 1.8008 7 2.134019 1.232513 -1.315789
#B 3 I -1 3.417 2.007 7 2.173632 1.863156 -1.298701
Na 1 I -1 6.52 1.94353 7 0.285612 3.198502 1.426534
#Mg 2 I -1 5.897 2.045 7 1.655681 1.199982 -1.367989
Al 3 I -1 5.327 2.24648 7 1.187824 2.619974 1.338688
P 5 I -1 4 2.49792 7.5 2.382629 2.27117 1.310616
K 1 I -1 8.846 2.2888 7 0.190106 3.633321 1.526718
#Ca 2 I -1 7.544 2.3242 7 1.170657 1.328579 -1.438849
#Ga 3 I -1 4.905 2.314 7 1.170186 1.902933 -1.472754
Rb 1 I -1 10.02 2.46445 7 0.150421 3.823732 1.582278
#Sr 2 I -1 9.4 2.3242 7 1.189417 1.169575 -1.438849
In 3 I -1 6.024 2.47773 7 0.674268 2.850379 1.49925
Cs 1 I -1 11.79 2.71194 8 0.116459 4.07706 1.663894
#Ba 2 I -1 10.32 2.6495 7.5 0.763038 1.478218 -1.526718
Ga 1 I -1 4.905 2.38769 7 0.150745 3.125864 1.848429
In 1 I -1 6.024 2.50769 7 0.115503 3.293778 1.945525
Sb 3 I -1 6 2.59905 7.5 0.531155 2.898754 1.675042
Te 4 I -1 3.396 2.67663 7.5 0.895233 2.465289 1.615509
Tl 1 I -1 8.03 2.48689 7 0.109014 3.477263 1.862197
Pb 2 I -1 7.541 2.5688 7 0.270625 3.211959 1.73913
Bi 3 I -1 6.058 2.63989 7.5 0.488978 2.951989 1.652893
#Cr 6 I -1 4 2.5373 7 2.176374 2.768722 -1.360544
Fe 3 I -1 5.733 2.37658 6 0.822293 2.623615 1.912046
Zn 2 I -1 4.718 2.15151 6.5 0.959066 2.597824 1.607717
#Mo 6 I -1 4.764 2.6191 7 1.922048 2.713286 -1.383126
Ag 1 I -1 4.438 2.08036 6 0.414392 2.760885 1.886792
Cd 2 I -1 6.176 2.3244 7 0.741701 2.918199 1.631321
Hf 4 I -1 7.105 2.57677 7 0.895483 2.832144 1.712329
Hg 2 I -1 6.966 2.38163 6 0.547753 2.956874 1.801802
Fe 2 I -1 5.743 2.25785 6 0.692512 2.711676 1.851852
Zr 3 I -1 6.765 2.56625 6 0.562056 2.796227 2.118644
Co 2 I -1 5.506 2.19837 6 0.780849 2.670145 1.757469
Cu 1 I -1 2.56 1.93067 6 0.501948 2.295302 1.988072
Zr 2 I -1 6.765 2.49296 5.5 0.36402 2.844654 2.358491
Cr 2 I -1 5.6 2.28404 6.5 0.689638 2.722975 1.851852
Mo 2 I -1 5.5 2.35705 6 0.456968 2.678791 2.169197
Mn 2 I -1 5.91 2.26045 6.5 0.796403 2.795756 1.70068
Eu 2 I -1 10.111 2.66292 6.5 0.429764 3.372258 1.904762
Li 1 N -3 5.021 1.1543 6 2.054953 2.132557 1.569859
A 1 N -3 5.021 1.1543 6 2.054953 2.132557 1.569859
Mg 2 N -3 5.897 1.63729 6 2.874771 2.215919 1.663894
Sr 2 N -3 9.4 2.09477 6.5 1.428465 2.830165 1.838235
Cr 6 N -3 4 1.96859 6.5 6.823816 1.638522 1.652893
Nb 5 N -3 6.044 2.0288 5 2.833875 2.027799 2.083333
Eu 3 N -3 7.743 2.1627 6 1.484427 2.459643 2.197802
Gd 3 N -3 8.052 2.09519 6.5 1.809718 2.475474 1.984127
Eu 2 N -3 10.111 2.1874 6 0.974842 2.731273 2.325581