American Mineralogist Crystal Structure Database

1 matching records for this search.

Na1.79Mg1.79Fe1.21(PO4)3
 
Hidouri M, Lajmi B, Driss A, Amara M B
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=7
Acta Crystallographica E59 (2003) i7-i9
The alluaudite-like phosphate Na1.79Mg1.79Fe1.21(PO4)3
_database_code_amcsd 0010376
11.791 12.489 6.4191 90 113.82 90 C2/c
atom      x       y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1      .5       0      0        .0234  .0323  .0092  .0151 -.0018 -.0045 -.0009
Na2       0  -.0115    .25 .7917  .0466  .0290  .0504  .0477      0  .0022      0
Mg1       0  .26564    .25        .0088  .0088  .0081  .0108      0  .0053      0
Mg2  .21714  .15533 .12852 .3960 .00778  .0075  .0071  .0092 .00082 .00386 .00084
Fe2  .21714  .15533 .12852 .6041 .00778  .0075  .0071  .0092 .00082 .00386 .00084
P1       .5  .21062    .25       .00583  .0057  .0051  .0062      0  .0020      0
O11  .45796  .28120  .0322        .0087  .0078  .0106  .0073  .0003  .0025  .0025
O12  .39708  .13456  .2493        .0123  .0090  .0095  .0173 -.0016  .0042  .0037
P2   .23741  .11008 .62617       .00601  .0066  .0048  .0067 .00032  .0028  .0002
O21  .37541  .10417  .6758        .0112  .0087  .0093  .0166  .0005  .0060 -.0002
O22  .17902 -.00119  .6170        .0118  .0134  .0073  .0151 -.0018  .0061  .0013
O23  .16302  .16543  .3925        .0098  .0116  .0081  .0090  .0013  .0036  .0005
O24  .22191  .17812  .8158        .0099  .0105  .0104  .0088  .0001  .0041 -.0007
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