American Mineralogist Crystal Structure Database

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Ferroalluaudite
Download hom/ferroalluaudite.pdf
Corbin D R, Whitney J F, Fultz W C, Stucky G D, Eddy M M, Cheetham A K
 
Inorganic Chemistry 25 (1986) 2279-2280
Synthesis of open-framework transition-metal phosphates using organometallic
precursors in acidic media. Preparation and structural characterization of
Fe5P4O20H10 and NaFe3P3O12
Note: structure from ICSD
_database_code_amcsd 0012695
11.998 12.328 6.500 90 114.185 90 C2/c
atom      x      y       z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na        0  .9709     .25  .0166  .1068  .0151      0  .0044      0
Fe1  .78904 .83999 -.12791  .0116  .0078  .0104  .0004  .0068  .0001
Fe2      .5 .78329     .25  .0101  .0106  .0107      0  .0063      0
P1   .78365 .88869  .38621  .0087  .0073  .0074  .0003  .0039 -.0010
P2       .5 .81971    -.25  .0073  .0077  .0064      0  .0026      0
O1    .7855  .8205   .1928  .0107  .0103   .085  .0004  .0042 -.0010
O2    .6451  .9085   .3436  .0088  .0093  .0156  .0005  .0060  .0010
O3    .8460  .8286   .6107  .0119  .0116  .0074  .0019  .0039  .0015
O4    .8456  .9975   .3987  .0121  .0085  .0132 -.0011  .0061  .0000
O5    .6070  .8941  -.2321  .0089  .0095  .0147 -.0019  .0048  .0003
O6    .5348  .7483  -.0381   .010  .0121  .0085  .0003  .0043  .0020
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