Wolfeite
Hatert F
Acta Crystallographica C63 (2007) i119-i121
Fe2(PO4)(OH), a synthetic analogue of wolfeite
Sample: T = 1063 K, P = 2.5 GPa
Locality: synthetic
_database_code_amcsd 0010339
12.265 13.197 9.7385 90 108.63 90 P2_1/a
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Fe1  .18617 .47901 .19376 .01071 .01085 .01028  .0115  .00162 .00421  .00201
Fe2  .19694 .99592 .21291 .01149 .01351 .01112  .0101  .00264 .00419 -.00019
Fe3  .30513 .75256 .29273 .01123 .01163 .01179  .0103  .00277 .00360 -.00060
Fe4  .31951 .26973 .30345 .01105 .01120 .01042  .0117  .00139 .00393  .00247
Fe5  .09624 .07077 .46901 .00972 .01012 .00916  .0101  .00001 .00349 -.00089
Fe6  .08583 .57379 .45225 .01027 .01072 .00859  .0119 -.00026 .00411 -.00101
Fe7  .39418 .67471 .03055 .00993 .01016 .00952 .01050  .00028 .00384 -.00084
Fe8  .42078 .17817 .03819 .00997 .00924 .00860  .0117  .00014 .00278 -.00057
P1   .07905 .82099 .38026 .00676  .0066  .0063  .0075  -.0002  .0024   .0003
P2   .07602 .32635 .38299 .00686  .0074  .0061  .0076  -.0002  .0031   .0002
P3   .42315 .42210 .11279 .00687  .0068  .0061  .0080   .0003  .0027   .0003
P4   .42299 .92823 .11949 .00710  .0071  .0065  .0081  -.0004  .0031  -.0001
O1   .04820 .41441  .4692  .0119  .0148  .0079  .0156  -.0011  .0087  -.0026
O2   .06179 .90778  .4786  .0106  .0135  .0078  .0126  -.0012  .0072  -.0030
O3   .43109 .84131 .01601  .0109  .0123  .0096  .0116  -.0009  .0050  -.0020
O4   .45629 .33759 .02469  .0106  .0128  .0075  .0137  -.0009  .0070  -.0018
O5   .02660 .04732 .24280  .0124  .0098  .0164  .0098   .0012  .0013   .0007
O6   .04222 .55422  .2321  .0128  .0088  .0158  .0128   .0031  .0020   .0003
O7   .46693 .70339 .25990  .0105  .0097  .0125  .0086   .0017  .0019   .0006
O8   .46736 .20329 .25925  .0117  .0130  .0131  .0075   .0031  .0013  -.0002
O9   .17370 .84765 .31467  .0105  .0107  .0086  .0143   .0019  .0068   .0017
O10  .17260 .36039  .3235  .0114  .0113  .0100  .0152   .0023  .0075   .0026
O11  .32383 .38410 .16570  .0106  .0101  .0102  .0139   .0004  .0071   .0026
O12  .33438 .90383 .19549  .0104  .0108  .0106  .0124   .0001  .0075   .0006
O13  .11945 .72824 .48136  .0100  .0124  .0067  .0101  -.0015  .0026   .0015
O14  .11844 .23468 .48289  .0099  .0110  .0080  .0100  -.0002  .0023   .0026
O15  .38401 .02293 .02153  .0111  .0131  .0076  .0123   .0004  .0037   .0012
O16  .37744 .51319 .01106  .0105  .0113  .0083  .0115   .0000  .0031   .0016
O17  .25267 .03010  .4355  .0127  .0122  .0097  .0151  -.0010  .0030  -.0007
O18  .20709 .16164  .1946  .0138  .0158  .0117  .0153  -.0029  .0069  -.0023
O19  .24270 .71909  .0681  .0115  .0109  .0092  .0136   .0004  .0025   .0015
O20  .30206 .58279  .3086  .0136  .0131  .0134  .0157  -.0025  .0067  -.0016
H1     .264  -.026   .453   .081
H2     .152   .169   .215   .031
H3     .234   .769   .055   .054
H4     .361   .573   .279   .022