American Mineralogist Crystal Structure Database

1 matching records for this search.

CaK2P2O7
 
Sandstrom M, Fischer A, Bostrom D
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=1600-5368&volume=59&spage=139
Acta Crystallographica E59 (2003) i139-i141
CaK2P2O7
_database_code_amcsd 0010413
9.8180 5.6760 13.0060 90 104.220 90 P2_1/n
atom      x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ca   .25171  .23853 .51853 .00852 .00860 .00917 .00784 -.00006 .00212 -.00006
K1   .64355  .73001 .17826 .01786 .01652 .01471  .0235  .00157 .00707 -.00086
K2   .12771  .23766 .14143 .02614 .01418 .01741  .0477  .00060 .00924  .00472
P1   .53029  .24480 .35836 .00791 .00845 .00860 .00708  .00028 .00266 -.00060
P2   .44736  .22007 .12604 .00866 .00877 .00927 .00759  .00049 .00132  .00003
O1   .42978  .23579 .42959  .0181  .0200  .0218  .0166   .0027  .0127   .0020
O2   .62764  .45501 .37887  .0171  .0152  .0124  .0229  -.0033  .0029  -.0056
O3   .60418  .01248 .35197  .0125  .0135  .0104  .0134   .0025  .0032   .0008
O4   .42554   .2964 .24223  .0145  .0122  .0221  .0089   .0062  .0016  -.0017
O5   .39011 -.02855 .10984  .0186  .0187  .0124  .0214  -.0028 -.0014  -.0036
O6   .60300  .23677 .13299  .0155  .0115  .0203  .0163   .0005  .0066   .0017
O7   .35742   .3965 .05331  .0186  .0208  .0186  .0147   .0065  .0008   .0057
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