American Mineralogist Crystal Structure Database

2 matching records for this search.

Girvasite
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Sokolova E V, Yegorov-Tismenko Y K
 
Doklady Akademii Nauk SSSR 331 (1990) 1372-1376
Crystal structure of girvasite
_database_code_amcsd 0012487
6.522 12.25 21.56 90 89.48 90 P2_1/c
atom      x     y     z Biso
Na     .147 .2076 .1051  1.8
Ca1   .4348 .0196 .2503   .6
Ca2   .6793 .2492 .3488  1.0
Mg1    .947 .1578 .7179   .3
Mg2    .620 .0732 .1115   .9
Mg3    .249 .0281 .6319   .5
P1     .439 .2338 .7197   .8
P2     .905 .0717 .2313   .9
P3     .752 .0350 .5944  1.0
C      .704  .039  .910   .8
O1     .271  .152 .6995  1.0
O2     .569  .006 .6373   .5
O3     .914  .002 .7559  1.1
O4     .470  .182 .1669  1.0
O5     .376  .208 .2799  1.0
O6     .762  .012 .1852  1.1
O7     .974  .180 .2020   .7
O8     .774  .088 .2920   .8
O9     .636  .170 .7365   .8
O10    .938  .080 .6312   .6
OH11   .179  .072 .4404   .9
OH12   .686  .121 .5449   .9
Wat13  .032  .198 .8150  1.0
O14    .337  .053 .0607  1.3
Wat15  .790  .181 .0557  1.3
O16    .606  .057 .8599  1.1
Wat17  .233  .051 .9458  1.2
OH18   .798  .109 .4247   .8
O19    .827  .109 .9318  1.6
OH20   .285  .133 .5541  1.1
Wat21  .413  .246 .4238  1.6
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Girvasite
Download hom/girvasite.pdf
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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 2
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