American Mineralogist Crystal Structure Database

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Dufrenite
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Moore P B
Download am/vol55/AM55_135.pdf
American Mineralogist 55 (1970) 135-169
Crystal chemistry of the basic iron phosphates
_database_code_amcsd 0000197
25.84 5.126 13.78 90 111.20 90 C2/c
atom     x      y     z Biso
Fe1      0      0     0 1.15
Fe2    .25    .25     0 1.25
Fe3  .1529 -.0150 .1116 1.01
Fe4  .1401 -.2220 .3545 1.18
P1   .2185  .2612 .3312 1.20
P2   .0790  .2808 .3970 1.38
Ca       0 -.1474   .25 1.78
O1   .0887  .0660 .3293 1.14
O2   .0769  .5468 .3422 1.77
O3   .0193  .2255 .4030 1.85
O4   .1224  .2896 .5055 1.60
OH5  .1727  .2183 .0170 1.58
O6   .2134  .0108 .3878 1.47
O7   .2029 -.5144 .3907 2.13
OH8  .1289 -.2574 .2046 1.85
O9   .1766  .2529 .2203 1.75
O10  .2223 -.2034 .1670 1.62
OH11 .0769  .1439 .0645 2.07
OH12 .0243 -.2853 .1119 2.25
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