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 = 0.11 Mg Note: changed sign of O3(y) to match bond distances _database_code_amcsd 0013351 10.401 10.401 37.316 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 -.2749 -.1423 .1666 .0084 .0084 .0093 -.0012 -.0001 .0046 Ca2 -.3833 -.1772 -.0339 .0094 .0076 .0086 -.0002 -.0016 .0037 Ca3 -.2737 -.1483 .0604 .0407 .0171 .0134 -.0076 -.0098 .0210 CaM4 0 0 -.0804 .305 .0117 .0117 .0186 0 0 .0059 MgM4 0 0 -.0804 .195 .0117 .0117 .0186 0 0 .0059 CaM5 0 0 -.2653 .810 .0168 .0168 .0101 0 0 .0084 MgM5 0 0 -.2653 .190 .0168 .0168 .0101 0 0 .0084 P1 0 0 0 .0069 .0069 .0199 0 0 .0035 P2 -.3124 -.1379 -.1312 .0104 .0113 .0088 .0012 .0015 .0074 P3 -.3457 -.1529 -.2334 .0063 .0070 .0067 .0003 -.0004 .0030 O1 -.2673 -.0863 -.0922 .0481 .0378 .0081 .0011 .0014 .0319 O2 -.2383 -.2240 -.1445 .0368 .0362 .0150 .0064 .0080 .0324 O3 -.2745 .0038 -.1525 .0107 .0094 .0085 .0008 .0010 .0030 O4 -.4817 -.2394 -.1356 .0138 .0075 .0415 .0014 .0019 .0038 O5 -.3997 -.0468 -.2211 .0139 .0184 .0102 -.0030 -.0022 .0120 O6 -.4227 -.3038 -.2146 .0207 .0106 .0137 .0051 .0032 .0029 O7 -.1787 -.0786 -.2251 .0070 .0097 .0242 -.0030 -.0039 .0042 O8 -.3748 -.1785 -.2736 .0255 .0201 .0069 -.0009 -.0006 .0155 O9 .0061 -.1363 -.0128 .0179 .0104 .0512 .0000 .0149 .0083 O10 0 0 .0407 .0286 .0286 .020 0 0 .0143