American Mineralogist Crystal Structure Database

1 matching records for this search.

Wagnerite
Download hom/wagnerite.pdf
Amisano Canesi A, Chiari G
 
European Crystallographic Meeting 14 (1992) 189-189
Refinement of very-high-pressure wagnerite, Mg2(PO4)F
_database_code_amcsd 0012516
9.650 12.731 11.961 90 108.22 90 P2_1/c
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Mg1  .5514 .0710 .9137  .0051  .0069  .0067  .0009 -.0000  .0001
Mg2  .4665 .0694 .5998  .0078  .0070  .0064 -.0010  .0028  .0001
Mg3  .0452 .1816 .9200  .0052  .0075  .0070 -.0003  .0013 -.0003
Mg4  .9659 .1773 .6078  .0052  .0073  .0065  .0004  .0016 -.0001
Mg5  .1911 .0190 .1902  .0054  .0090  .0053 -.0021  .0013 -.0011
Mg6  .7887 .0028 .3068  .0050  .0064  .0052 -.0018  .0017  .0013
Mg7  .3059 .2313 .3136  .0063  .0085  .0079  .0001  .0019 -.0002
Mg8  .7071 .2465 .1941  .0063  .0172  .0073 -.0007  .0023  .0003
P1   .1156 .0784 .4256  .0042  .0028  .0034 -.0007  .0007 -.0003
P2   .8797 .0733 .0760  .0037  .0060  .0041  .0015  .0015 -.0006
P3   .3822 .1773 .0749  .0040  .0058  .0047  .0009  .0015 -.0001
P4   .6208 .1798 .4234  .0031  .0051  .0044 -.0014  .0007  .0006
O1   .1748 .1119 .3260   .011   .012   .008  -.001   .003  -.001
O2   .7972 .0935 .1637   .011   .009   .010  -.001   .004   .001
O3   .3150 .1432 .1711   .006   .007   .005  -.004   .003  -.001
O4   .6925 .1512 .3294   .006   .005   .006   .002   .003   .000
O5   .2427 .0490 .5348   .008   .016   .006  -.001   .002   .001
O6   .7684 .0555 .9510   .007   .010   .006  -.003   .001   .002
O7   .2617 .2051 .9597   .004   .006   .007 -.0004   .001   .003
O8   .7397 .2058 .5398   .003   .005   .003   .002  -.002   .001
O9   .9838 .0161 .6211   .007   .003   .005  -.001   .001  -.001
O10  .0249 .0250 .8836   .004   .007   .006  -.002   .002   .001
O11  .4861 .2293 .6177   .007   .011   .009   .003   .002  -.000
O12  .5173 .2243 .8811   .006   .008   .009  -.002   .002   .002
O13  .4706 .0825 .0497   .008   .004   .009   .002   .005  -.000
O14  .5204 .0875 .4396   .007   .006   .007  -.004   .003  -.004
O15  .0256 .1641 .4569   .009   .012   .007  -.001   .003   .001
O16  .9840 .1610 .0692   .007   .009   .007   .002   .002   .003
F1   .4198 .0450 .7545   .014   .017   .009  -.004   .001  -.002
F2   .6747 .0837 .7136   .014   .015   .015   .001   .000   .004
F3   .1755 .1612 .7148   .013   .012   .015  -.001   .000  -.001
F4   .9172 .2081 .7594   .016   .021   .011   .005   .005   .000
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