Althausite
Romming C, Raade G
American Mineralogist 65 (1980) 488-498
The crystal structure of althausite, Mg4(PO4)2(OH,O)(F, )
_database_code_amcsd 0000784
8.258 6.054 14.383 90 90 90 Pnma
atom      x      y      z occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .13402 .00414 .16858          0.0067 0.0049 0.0085 0.0009 0.0004 0.0009
Mg2  .34763    .25 .42143          0.0054 0.0066 0.0111      0 0.0021      0
Mg3  .07712    .25 .57505          0.0068 0.0063 0.0075      0 -.0007      0
P1   .48845    .25 .14583          0.0037 0.0041 0.0048      0 -.0001      0
P2   .22456    .25 .84820          0.0043 0.0045 0.0055      0 0.0004      0
O11  .38234 .04123 .14137          0.0061 0.0069 0.0112 -.0013 0.0006 -.0006
O12  .60739    .25 .06273          0.0064 0.0112 0.0072      0 0.0012      0
O13  .59147    .25 .23554          0.0102 0.0080 0.0065      0 -.0029 0.0016
O21  .11583 .04268 .85336          0.0068 0.0071 0.0120 -.0016 -.0004 0.0000
O22  .32077    .25 .75588          0.0108 0.0076 0.0076      0 0.0035      0
O23  .34092    .25 .93021          0.0068 0.0187 0.0085      0 -.0028      0
F    .33500    .25 .56627 .25      0.0064 0.0066 0.0057      0 -.0016      0
O    .09124    .25 .07585 .19      0.0060 0.0082 0.0071      0 0.0008      0
Oh   .09124    .25 .07585 .37      0.0060 0.0082 0.0071      0 0.0008      0
H    .15400    .25 .03500 .37  1.6