Whitlockite Tsirlin A A, Dikarev E V, Shpanchenko R V, Antipov E V Acta Crystallographica C62 (2006) i13-i15 A new whitlockite, Ca8.42Na1.16V(PO4)7 Locality: synthetic _database_code_amcsd 0010333 10.3273 10.3273 37.098 90 90 120 R3c 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 .47745 .94303 .366928 .936 .00863 .00882 .00833 .0090 .00449 .00078 .00014 Ca2 .20426 .82509 .499885 .936 .00806 .00893 .00759 .00776 .00422 .00085 -.00043 Ca3 .79266 .60531 .426576 .936 .00783 .0059 .0109 .0074 .00476 -.00024 .00287 Na1 0 0 .45676 .29 .0116 .0122 .0122 .0105 .0061 0 0 Na2 .79266 .60531 .426576 .29 .00783 .0059 .0109 .0074 .00476 -.00024 .00287 V 1/3 2/3 .435576 .00602 .00558 .00558 .0069 .00279 0 0 P1 2/3 1/3 .36911 .00679 .0055 .0055 .0094 .00274 0 0 P2 .48571 .47541 .465697 .00599 .0062 .0061 .0064 .00367 .0001 .00009 P3 .17400 .86029 .403712 .00643 .0060 .0063 .0072 .00322 .00003 .00021 O1 2/3 1/3 .41030 .0115 .0124 .0124 .0096 .0062 0 0 O2 .42872 .83736 .47201 .0096 .0070 .0070 .0137 .0028 .0006 .0019 O3 .51579 .47258 .42569 .0087 .0091 .0094 .0072 .0043 .0002 -.0001 O4 .27556 .99779 .38046 .0085 .0103 .0089 .0071 .0054 .0008 .0017 O5 .24821 .75839 .40139 .0103 .0086 .0071 .0162 .0048 .0001 -.0004 O6 .01562 .76711 .38913 .0120 .0066 .0143 .0128 .0033 -.0022 .0013 O7 .63333 .55003 .48613 .0120 .0091 .0147 .0106 .0048 -.0031 -.0008 O8 .52275 .32709 .35553 .0140 .0091 .0129 .0214 .0066 -.0046 -.0049 O9 .17915 .91481 .44209 .0138 .0145 .0162 .0084 .0059 .0004 -.0006 O10 .37735 .31579 .47842 .0106 .0126 .0080 .0105 .0045 .0018 .0001