Whitlockite
Schroeder L W, Dickens B, Brown W E
Journal of Solid State Chemistry 22 (1977) 253-262
Crystallographic studies of the role of Mg as a stabilizing impurity in
beta-Ca3(PO4)2. II. Refinement of Mg-containing beta-Ca3(PO4)2
Locality: synthetic
Sample: x = 0.29 Mg
_database_code_amcsd 0013352
10.337 10.337 37.068 90 90 120 R3c
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1  -.2730 -.1420  .1665      .0075  .0076  .0070 -.0011 -.0003  .0041
Ca2  -.3840 -.1769 -.0348      .0087  .0066  .0075 -.0005 -.0024  .0034
Ca3  -.2738 -.1480  .0595      .0307  .0149  .0140 -.0079 -.0103  .0174
CaM4      0      0 -.0780  .5  .0127  .0127  .0134      0      0  .0064
MgM5      0      0 -.2652      .0042  .0042  .0044      0      0  .0021
P1        0      0      0      .0056  .0056  .0120      0      0  .0028
P2   -.3133 -.1389 -.1310      .0073  .0075  .0059  .0008  .0009  .0046
P3   -.3439 -.1514 -.2347      .0048  .0059  .0055  .0002  .0001  .0024
O1   -.2606 -.0820 -.0924      .0289  .0215  .0069 -.0008 -.0017  .0162
O2   -.2430 -.2287 -.1450      .0206  .0201  .0137  .0036  .0058  .0169
O3   -.2766 -.0002 -.1537      .0081  .0071  .0075  .0017  .0004  .0025
O4   -.4857 -.2404 -.1333      .0089  .0074  .0150  .0015  .0045  .0034
O5   -.3964 -.0434 -.2222      .0107  .0153  .0100 -.0034 -.0019  .0095
O6   -.4200 -.3004 -.2145      .0127  .0090  .0114  .0041  .0020  .0013
O7   -.1741 -.0767 -.2279      .0048  .0084  .0085 -.0003 -.0002  .0033
O8   -.3789 -.1821 -.2748      .0112  .0117  .0058 -.0012 -.0015  .0056
O9    .0047 -.1378 -.0135      .0145  .0082  .0371 -.0003  .0102  .0068
O10       0      0  .0414      .0131  .0131  .0141      0      0  .0066