Hydroboracite
Sabelli C, Stoppioni A
The Canadian Mineralogist 16 (1978) 75-80
Refinement of the crystal structure of hydroboracite
_database_code_amcsd 0005149
11.769 6.684 8.235 90 102.59 90 P2/c
atom     x      y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Mg       0      0     0  .75 .00123 .00363 .00383 -.00062 .00062 -.00016
Ca      .5 .47388   .25  .52 .00078 .00359 .00224       0 .00064       0
OW1      0  .1238   .25 1.01 .00176 .00605 .00439       0 .00121       0
OW2  .0504  .2772 .5966 1.37 .00224 .00619 .00750  .00049 .00162  .00080
Oh3  .1667  .9061 .5359  .99 .00154 .00584 .00482 -.00075 .00132 -.00211
O4   .1910  .3419 .2468  .80 .00163 .00513 .00297 -.00074 .00131 -.00048
O5   .1758  .5515 .4678  .89 .00149 .00603 .00351  .00069 .00116  .00134
O6   .3487  .7299 .6052  .80 .00135 .00541 .00298 -.00019 .00073  .00015
O7   .3266  .6114 .3209  .87 .00140 .00570 .00366 -.00065 .00113 -.00109
Oh8  .3544  .9672 .3936 1.16 .00262 .00534 .00433 -.00021 .00067  .00145
Oh9  .5093  .7160 .4717  .97 .00144 .00524 .00496 -.00072 .00096 -.00124
B1   .2251  .7125 .5912  .66 .00131 .00408 .00217 -.00024 .00036  .00004
B2   .3848  .7614 .4480  .69 .00120 .00397 .00298 -.00012 .00070 -.00015
B3   .2325  .5039 .3436  .63 .00111 .00438 .00205  .00054 .00041  .00071
H1    .064   .197  .249  4.5
H2    .092   .370  .554  4.5
H3   -.025   .335  .575  4.5
H4    .230   .927  .489  4.5
H5    .353   .069  .298  4.5
H6    .446   .179  .483  4.5