American Mineralogist Crystal Structure Database

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Mottramite
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Permer L, Laligant Y, Ferey G
European Journal of Solid State and Inorganic Chemistry 30 (1993) 383-392
Crystal structure of (Pb2.8Fe1.2)Cu4O1.6(VO4)4(OH)2;
structural relationships with mineral gamagarite
_cod_database_code 1000426
_database_code_amcsd 0012569
7.525 5.900 9.640 90 90 90 Pnma
atom     x    y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Fe   .3767  .25 .1788 .280  .0094  .0158  .0114      0  .0004      0
Pb   .3767  .25 .1788 .720  .0094  .0158  .0114      0  .0004      0
V    .8613  .25 .6710        .008   .009   .014      0  -.007      0
Cu       0    0     0        .012   .007   .015  .0007   .003 -.0006
O1    .176  .25  .948        .018   .006   .031      0  -.003      0
O2    .540  .25 -.071        .015   .024   .019      0  -.007      0
O3    .369 .488  .729        .022   .013   .022  -.003   .011  -.011
O4    .856  .25  .066 .900   .015   .010   .018      0   .005      0
H      .74  .25     0   .5
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