Sulfoborite
Giese R F, Penna G
American Mineralogist 68 (1983) 255-261
The crystal structure of sulfoborite, Mg3SO4(B(OH)4)2(OH)F
_database_code_amcsd 0000890
10.132 12.537 7.775 90 90 90 Pnma
atom     x     y     z  Biso  B(1,1)  B(2,2)  B(3,3)  B(1,2)  B(1,3)  B(2,3)
B    .3186 .5028 .0854       0.00157 0.00100 0.00184 0.00012 0.00064 -.00036
Mg1  .1838   .25 .4849       0.00190 0.00106 0.00305       0 -.00026       0
Mg2  .0687 .6261 .2504       0.00184 0.00133 0.00317 0.00000 0.00041 0.00042
S    .4883   .25 .3901       0.00174 0.00115 0.00238       0 0.00087       0
F    .4700   .75 .1468       0.00179 0.00124 0.00424       0 -.00160       0
O1   .4939 .6538 .5019       0.00345 0.00160 0.00406 -.00126 0.00257 -.00161
O2   .3538   .25 .3167       0.00179 0.00305 0.00441       0 -.00161       0
O3   .0851   .25 .2479       0.00319 0.00229 0.00426       0 -.00472       0
Oh4  .1699 .4091 .4674       0.00371 0.00103 0.00255 -.00032 -.00570 -.00006
Oh5  .1800 .4968 .1532       0.00136 0.00157 0.00374 -.00045 0.00066 -.00099
Oh6  .1496 .5965 .4931       0.00302 0.00115 0.00344 0.00068 -.00133 -.00019
Oh7  .1985   .75 .1985       0.00131 0.00163 0.00244       0 -.00061       0
Oh8  .4081 .5241 .2297       0.00252 0.00197 0.00275 -.00096 -.00118 0.00074
H1   .1480 .4560 .1110 -0.32
H2   .1750 .4260  .375  0.61
H3   .3550 .3620 .0470 -0.24
H4   .3950 .4940 .2980  0.15
H5   .2290   .75 .2540 -1.40