Girvasite Krivovichev S V, Chernyatieva A P, Britvin S N, Yakovenchuk V N Russian Geology and Geophysics 56 (2015) 155-163 The crystal structure of girvasite, NaCa2Mg3(PO4)3(CO3)(H2O)6, a complex phosphate-carbonate hydrate based upon electroneutral heteropolyhedral layers Note: T = 173 K Locality: Zhelezny mine, Kovdor massif, Kola Peninsula, Russia _database_code_amcsd 0020967 6.4784 12.2313 21.3494 90 89.624 90 P2_1/c atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) Na .14773 .20757 .10527 .00967 .0101 .0095 .0095 -.0003 .0004 -.0002 Ca1 .43801 .02010 .249925 .00498 .00456 .00468 .00571 -.00038 -.00021 .00018 Ca2 .67971 .25007 .348619 .00569 .00591 .00536 .00578 .00050 .00005 -.00011 Mg1 .94562 .15856 .71836 .00452 .0040 .0042 .0054 .00011 .00015 -.00011 Mg2 .62007 .07221 .11156 .00610 .0066 .0064 .0052 .00064 -.00069 -.00027 Mg3 .25003 .02842 .63224 .00447 .0043 .0045 .0046 .00038 -.00028 -.00036 P1 .43834 .23332 .719833 .00503 .00461 .00477 .00571 -.00019 -.00014 .00005 P2 .90536 .07165 .230884 .00465 .00452 .00458 .00486 .00004 -.00021 -.00020 P3 .75175 .03410 .594530 .00535 .00491 .00592 .00522 -.00003 -.00008 -.00029 C .7053 .03834 .91051 .0070 .0071 .0073 .0066 .0011 .0005 -.0001 O1 .27129 .14992 .69957 .00614 .0058 .0052 .0074 -.0013 -.0002 -.0011 O2 .56724 .00685 .63779 .0073 .0062 .0096 .0063 -.0007 .0012 .0006 O3 .91068 .00191 .75458 .0065 .0049 .0059 .0086 .0007 -.0011 .0006 O4 .47074 .18180 .16814 .0073 .0069 .0065 .0086 .0006 -.0006 -.0018 O5 .37361 .20668 .28045 .0072 .0073 .0067 .0076 .0008 .0006 .0013 O6 .76394 .00945 .18514 .0070 .0078 .0066 .0067 .0001 -.0019 -.0011 O7 .97151 .17966 .20125 .0068 .0074 .0049 .0081 -.0005 .0010 .0015 O8 .77604 .08853 .29220 .0064 .0074 .0063 .0056 .0008 .0004 .0000 O9 .63732 .17091 .73697 .00642 .0059 .0060 .0073 .0005 -.0006 .0005 O10 .93679 .08097 .63212 .0066 .0051 .0079 .0070 -.0003 -.0005 -.0016 O11 .17690 .07033 .43966 .0074 .0068 .0074 .0078 .0007 -.0004 -.0021 O12 .68505 .12025 .54579 .0073 .0067 .0085 .0066 .0007 -.0012 .0015 Ow13 .02777 .19752 .81492 .0077 .0070 .0073 .0087 -.0005 .0007 .0013 O14 .33790 .05346 .06098 .0076 .0105 .0052 .0071 -.0012 -.0011 .0016 Ow15 .79611 .17783 .05795 .0092 .0124 .0074 .0080 .0003 .0003 -.0012 O16 .60557 .05677 .85916 .0071 .0077 .0069 .0068 -.0002 -.0017 .0003 Ow17 .2363 .05055 .94354 .0082 .0089 .0087 .0070 .0006 -.0005 -.0005 Ow18 .79694 .11022 .42313 .0075 .0066 .0094 .0065 .0009 .0000 -.0003 O19 .82946 .10907 .93232 .0088 .0080 .0092 .0092 -.0019 -.0020 -.0010 Ow20 .28478 .13485 .55629 .0083 .0070 .0111 .0067 -.0008 -.0009 .0003 Ow21 .4202 .24607 .42432 .0112 .0105 .0081 .0149 .0007 .0043 -.0001 H131 .131 .236 .8091 .024 H132 .079 .141 .8249 .028 H151 .752 .249 .0575 .043 H152 .797 .157 .0193 .043 H171 .263 .054 .9829 .037 H172 .113 .062 .9393 .021 H181 .921 .105 .4303 .045 H182 .740 .116 .4563 .053 H201 .403 .135 .5496 .020 H202 .233 .109 .5222 .027 H211 .357 .300 .4289 .018 H212 .328 .187 .4272 .021