Gladiusite
Sokolova E V, Hawthorne F C, McCammon C A, Liferovich R P
The Canadian Mineralogist 39 (2001) 1121-1130
The crystal structure of gladiusite, (Fe,Mg)4Fe2(PO4)(OH)11(H2O)
_database_code_amcsd 0005729
16.950 11.650 6.2660 90 90.000 90 P2_1/n
atom       x     y    z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe1    .0742 .5653 .624     .0088  .0085  .0101  .0079  .0005  .0082 -.0019
Fe2    .0697 .5672 .124 .48 .0088  .0085  .0101  .0079  .0005  .0082 -.0019
Mn2    .0697 .5672 .124 .05 .0088  .0085  .0101  .0079  .0005  .0082 -.0019
Mg2    .0697 .5672 .124 .45 .0088  .0085  .0101  .0079  .0005  .0082 -.0019
Fe3    .2382 .0034 .623     .0072  .0061  .0092  .0061  .0006 -.0009  .0072
Fe4    .2326 .0105 .118 .50 .0072  .0061  .0092  .0061  .0006 -.0009  .0072
Mg4    .2326 .0105 .118 .50 .0072  .0061  .0092  .0061  .0006 -.0009  .0072
Fe5    .1152 .8388 .871     .0074  .0074  .0088  .0060  .0001  .0009  .0000
Fe6    .1098 .8448 .378 .12 .0074  .0074  .0088  .0060  .0001  .0009  .0000
Mg6    .1098 .8448 .378 .74 .0074  .0074  .0088  .0060  .0001  .0009  .0000
P     -.0593 .7281 .374     .0158  .0135  .0162  .0178  .0019 -.0022 -.0176
OH1     .118 .9641 .636     .0117  .0144  .0120  .0087  .0014  .0058 -.0090
OH2     .114  .957 .136     .0117  .0144  .0120  .0087  .0014  .0058 -.0090
OH3     .229  .122 .871     .0149  .0150  .0144  .0154  .0022 -.0093 -.0060
OH4     .229  .112 .396     .0149  .0150  .0144  .0154  .0022 -.0093 -.0060
OH5    .1214  .728 .617     .0119  .0142  .0079  .0135  .0004 -.0134 -.0053
OH6     .132  .726 .116     .0119  .0142  .0079  .0135  .0004 -.0134 -.0053
OH7     .144  .495 .866     .0237  .0186  .0385  .0139  .0095 -.0046 -.0324
OH8     .143  .507 .385     .0237  .0186  .0385  .0139  .0095 -.0046 -.0324
OH9     .235  .879 .868     .0110  .0133  .0095  .0102  .0004 -.0046 -.0036
OH10    .232  .886 .358     .0110  .0133  .0095  .0102  .0004 -.0046 -.0036
O11   -.0159 .8456 .392     .0137  .0115  .0226  .0069  .0006 -.0101 -.0009
Wat12 -.0002  .834 .899     .0137  .0115  .0226  .0069  .0006 -.0101 -.0009
OH13  -.0059  .589 .879     .0124  .0163  .0101  .0108  .0015  .0078  .0007
O14   -.0118  .615 .367     .0124  .0163  .0101  .0108  .0015  .0078  .0007
O15   -.1005  .737 .153     .0145  .0083  .0168  .0183  .0145  .0003  .0001
O16   -.1171  .725 .561     .0145  .0083  .0168  .0183  .0145  .0003  .0001