Hubeite
Cooper M A, Hawthorne F C
The Canadian Mineralogist 42 (2004) 825-834
The crystal structure of hubeite, a novel sorosilicate mineral
_database_code_amcsd 0005941
9.9653 13.9171 6.5703 133.264 101.414 66.302 P-1
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3) U(2,3)
Fe3+ .12336 .89658 .01858 .94 .0073 .00687 .00725 .00740 -.00184  .00003 .00499
Al   .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184  .00003 .00499
Mg   .12336 .89658 .01858 .04 .0073 .00687 .00725 .00740 -.00184  .00003 .00499
Mn   .00897 .29187 .01555 .87 .0094  .0094 .00972  .0108 -.00333 -.00117 .00763
Ca   .00897 .29187 .01555 .12 .0094  .0094 .00972  .0108 -.00333 -.00117 .00763
Ca1  .61932 .36094 .00460     .0109  .0092  .0120  .0128 -.00223 -.00026  .0094
Ca2  .19528 .47015 .06104     .0131  .0107  .0173  .0191 -.00588 -.00310  .0150
Si1  .89574 .77879 .56898     .0087  .0099  .0083  .0083  -.0033  -.0008  .0058
Si2  .75432 .60786 .52352     .0083  .0077  .0094  .0091  -.0035  -.0013  .0067
Si3  .40783 .69102 .55270     .0086  .0074  .0094  .0093  -.0019   .0002  .0068
Si4  .18597 .92302 .57705     .0087  .0090  .0086  .0083  -.0023   .0002  .0058
O1    .8064 .94162  .6974     .0112  .0129  .0093  .0122  -.0035  -.0013  .0077
O2   -.0118 .23117  .2302     .0117  .0134  .0123  .0124  -.0050  -.0028  .0096
O3    .9692 .66894  .2470     .0126  .0153  .0110  .0085  -.0024   .0006  .0063
O4    .7629  .7315  .5521     .0145  .0144  .0151  .0217  -.0083  -.0054  .0146
O5    .7962 .46530  .1929     .0123  .0136  .0115  .0093  -.0047  -.0015  .0061
O6    .8498  .5950  .7331     .0125  .0122  .0169  .0140  -.0057  -.0026  .0125
O7    .5808  .6530  .5999     .0168  .0082  .0256  .0244  -.0047  -.0020  .0204
O8    .3926 .55596  .2402     .0131  .0127  .0115  .0105  -.0033  -.0009  .0063
O9    .3155 .74208  .8054     .0116  .0106  .0135  .0125  -.0022   .0015  .0099
O10   .3543  .8183  .5472     .0130  .0109  .0135  .0177  -.0013   .0014  .0125
O11   .1478 .84494  .2563     .0114  .0127  .0111  .0093  -.0041  -.0007  .0065
O12  .08130 .94486  .7725     .0104  .0100  .0100  .0109  -.0016   .0020  .0072
Oh    .1938 .07417 -.2791     .0129  .0181  .0096  .0116  -.0056  -.0005  .0069
OW1   .4280  .2521 -.1743     .0195  .0196  .0191  .0182  -.0090  -.0015  .0111
OW2   .5137  .0159 -.2640  .5 .0287  .0171  .0242  .0360  -.0110  -.0060  .0163
OW3   .5080  .0445 -.1273  .5 .0483  .0202  .0471  .0569  -.0117  -.0069  .0287
H1     .205   .070  -.430     .0296
H2     .425   .190 -.3781     .0500
H3     .456   .179  -.165     .0500
H4    .6117  -.003  -.204     .0500
H5     .459  -.024  -.248     .0500