Cuspidine
Piotrowski A, Kahlenberg V, Fischer R X
American Mineralogist 85 (2000) 1534-1539
Na2Ca2(P2O7)F2, the first diphosphate of the cuspidine family
Sample: single position O1
_database_code_amcsd 0002593
10.8730 10.5516 7.4287 90 109.74 90 P2_1/n
atom     x     y     z occ 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
O1   .0929 .2002 .4216      .2381  .0595  .0287  .0306  .0798  .0070
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