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Girvasite |
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Sokolova E V, Yegorov-Tismenko Y K |
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Doklady Akademii Nauk SSSR 331 (1990) 1372-1376 |
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Crystal structure of girvasite |
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_database_code_amcsd 0012487 |
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6.522 12.25 21.56 90 89.48 90 P2_1/c |
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atom x y z Biso |
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Na .147 .2076 .1051 1.8 |
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Ca1 .4348 .0196 .2503 .6 |
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Ca2 .6793 .2492 .3488 1.0 |
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Mg1 .947 .1578 .7179 .3 |
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Mg2 .620 .0732 .1115 .9 |
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Mg3 .249 .0281 .6319 .5 |
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P1 .439 .2338 .7197 .8 |
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P2 .905 .0717 .2313 .9 |
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P3 .752 .0350 .5944 1.0 |
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C .704 .039 .910 .8 |
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O1 .271 .152 .6995 1.0 |
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O2 .569 .006 .6373 .5 |
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O3 .914 .002 .7559 1.1 |
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O4 .470 .182 .1669 1.0 |
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O5 .376 .208 .2799 1.0 |
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O6 .762 .012 .1852 1.1 |
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O7 .974 .180 .2020 .7 |
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O8 .774 .088 .2920 .8 |
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O9 .636 .170 .7365 .8 |
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O10 .938 .080 .6312 .6 |
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OH11 .179 .072 .4404 .9 |
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OH12 .686 .121 .5449 .9 |
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Wat13 .032 .198 .8150 1.0 |
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O14 .337 .053 .0607 1.3 |
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Wat15 .790 .181 .0557 1.3 |
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O16 .606 .057 .8599 1.1 |
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Wat17 .233 .051 .9458 1.2 |
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OH18 .798 .109 .4247 .8 |
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O19 .827 .109 .9318 1.6 |
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OH20 .285 .133 .5541 1.1 |
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Wat21 .413 .246 .4238 1.6 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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Girvasite |
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Krivovichev S V, Chernyatieva A P, Britvin S N, Yakovenchuk V N |
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Russian Geology and Geophysics 56 (2015) 155-163 |
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The crystal structure of girvasite, NaCa2Mg3(PO4)3(CO3)(H2O)6, a complex |
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phosphate-carbonate hydrate based upon electroneutral heteropolyhedral layers |
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Note: T = 173 K |
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Locality: Zhelezny mine, Kovdor massif, Kola Peninsula, Russia |
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_database_code_amcsd 0020967 |
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6.4784 12.2313 21.3494 90 89.624 90 P2_1/c |
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atom x y z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3) |
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Na .14773 .20757 .10527 .00967 .0101 .0095 .0095 -.0003 .0004 -.0002 |
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Ca1 .43801 .02010 .249925 .00498 .00456 .00468 .00571 -.00038 -.00021 .00018 |
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Ca2 .67971 .25007 .348619 .00569 .00591 .00536 .00578 .00050 .00005 -.00011 |
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Mg1 .94562 .15856 .71836 .00452 .0040 .0042 .0054 .00011 .00015 -.00011 |
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Mg2 .62007 .07221 .11156 .00610 .0066 .0064 .0052 .00064 -.00069 -.00027 |
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Mg3 .25003 .02842 .63224 .00447 .0043 .0045 .0046 .00038 -.00028 -.00036 |
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P1 .43834 .23332 .719833 .00503 .00461 .00477 .00571 -.00019 -.00014 .00005 |
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P2 .90536 .07165 .230884 .00465 .00452 .00458 .00486 .00004 -.00021 -.00020 |
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P3 .75175 .03410 .594530 .00535 .00491 .00592 .00522 -.00003 -.00008 -.00029 |
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C .7053 .03834 .91051 .0070 .0071 .0073 .0066 .0011 .0005 -.0001 |
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O1 .27129 .14992 .69957 .00614 .0058 .0052 .0074 -.0013 -.0002 -.0011 |
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O2 .56724 .00685 .63779 .0073 .0062 .0096 .0063 -.0007 .0012 .0006 |
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O3 .91068 .00191 .75458 .0065 .0049 .0059 .0086 .0007 -.0011 .0006 |
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O4 .47074 .18180 .16814 .0073 .0069 .0065 .0086 .0006 -.0006 -.0018 |
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O5 .37361 .20668 .28045 .0072 .0073 .0067 .0076 .0008 .0006 .0013 |
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O6 .76394 .00945 .18514 .0070 .0078 .0066 .0067 .0001 -.0019 -.0011 |
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O7 .97151 .17966 .20125 .0068 .0074 .0049 .0081 -.0005 .0010 .0015 |
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O8 .77604 .08853 .29220 .0064 .0074 .0063 .0056 .0008 .0004 .0000 |
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O9 .63732 .17091 .73697 .00642 .0059 .0060 .0073 .0005 -.0006 .0005 |
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O10 .93679 .08097 .63212 .0066 .0051 .0079 .0070 -.0003 -.0005 -.0016 |
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O11 .17690 .07033 .43966 .0074 .0068 .0074 .0078 .0007 -.0004 -.0021 |
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O12 .68505 .12025 .54579 .0073 .0067 .0085 .0066 .0007 -.0012 .0015 |
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Ow13 .02777 .19752 .81492 .0077 .0070 .0073 .0087 -.0005 .0007 .0013 |
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O14 .33790 .05346 .06098 .0076 .0105 .0052 .0071 -.0012 -.0011 .0016 |
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Ow15 .79611 .17783 .05795 .0092 .0124 .0074 .0080 .0003 .0003 -.0012 |
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O16 .60557 .05677 .85916 .0071 .0077 .0069 .0068 -.0002 -.0017 .0003 |
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Ow17 .2363 .05055 .94354 .0082 .0089 .0087 .0070 .0006 -.0005 -.0005 |
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Ow18 .79694 .11022 .42313 .0075 .0066 .0094 .0065 .0009 .0000 -.0003 |
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O19 .82946 .10907 .93232 .0088 .0080 .0092 .0092 -.0019 -.0020 -.0010 |
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Ow20 .28478 .13485 .55629 .0083 .0070 .0111 .0067 -.0008 -.0009 .0003 |
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Ow21 .4202 .24607 .42432 .0112 .0105 .0081 .0149 .0007 .0043 -.0001 |
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H131 .131 .236 .8091 .024 |
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H132 .079 .141 .8249 .028 |
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H151 .752 .249 .0575 .043 |
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H152 .797 .157 .0193 .043 |
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H171 .263 .054 .9829 .037 |
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H172 .113 .062 .9393 .021 |
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H181 .921 .105 .4303 .045 |
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H182 .740 .116 .4563 .053 |
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H201 .403 .135 .5496 .020 |
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H202 .233 .109 .5222 .027 |
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H211 .357 .300 .4289 .018 |
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H212 .328 .187 .4272 .021 |
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| Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
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