American Mineralogist Crystal Structure Database

1 matching records for this search.

Cuspidine
Download hom/cuspidine.pdf
Piotrowski A, Kahlenberg V, Fischer R X
American Mineralogist 85 (1999) 1534-1539
Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family
Sample: split position O1
_database_code_amcsd 0002594
10.8730 10.5516 7.4287 90 109.74 90 P2_1/n
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  .5754 .8767 .6647 .83        .0127  .0105  .0098  .0034  .0043  .0009
Na1  .5754 .8767 .6647 .17        .0127  .0105  .0098  .0034  .0043  .0009
Ca2  .8070 .1026 .5277 .45        .0134  .0101  .0140 -.0025  .0058 -.0008
Na2  .8070 .1026 .5277 .55        .0134  .0101  .0140 -.0025  .0058 -.0008
Ca3  .8174 .0835 .0339 .54        .0138  .0135  .0146 -.0039  .0046 -.0017
Na3  .8174 .0835 .0339 .46        .0138  .0135  .0146 -.0039  .0046 -.0017
Ca4  .5819 .8869 .1625 .19        .0163  .0173  .0142  .0038  .0057  .0011
Na4  .5819 .8869 .1625 .81        .0163  .0173  .0142  .0038  .0057  .0011
P1   .1241 .1832 .6435            .0083  .0075  .0073  .0003  .0037 -.0016
P2   .6226 .3172 .7296            .0072  .0066  .0078 -.0002  .0023 -.0007
F1   .6126 .0022 .9231            .0116  .0137  .0161 -.0031  .0039 -.0027
F2   .6097 .0051 .4371            .0108  .0130  .0151  .0017  .0052  .0008
O1A  .1670 .2114 .4546  .5 .0284
O1B  .0752 .1977 .4130  .5 .0287
O2   .8490 .9541 .7885            .0779  .0117  .0353  .0147  .0235  .0028
O3   .9975 .2320 .6535            .0125  .0206  .0850 -.0017  .0178 -.0253
O4   .1506 .0458 .6888            .0409  .0108  .0385  .0065  .0188  .0074
O5   .9977 .2300 .0903            .0194  .0280  .0606 -.0061 -.0100  .0296
O6   .7392 .2353 .7466            .0110  .0252  .0833  .0015  .0086 -.0310
O7   .2399 .2659 .7412            .0137  .0246  .0648  .0022 -.0020 -.0217
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