American Mineralogist Crystal Structure Database

2 matching records for this search.

Nacaphite
Download hom/nacaphite.pdf
Sokolova E V, Kabalov Y K, Ferraris G, Schneider J, Khomyakov A P
Download cm/vol37/CM37_83.pdf
The Canadian Mineralogist 37 (1999) 83-90
Modular approach in solving the crystal structure of a synthetic dimorph of
nacaphite, Na2Ca[PO4]F, from powder-diffraction data
_database_code_amcsd 0005594
7.0179 7.0179 40.56 90 90 120 R3m
atom    x     y    z  occ Biso
Na1  .171 -.171 .270  2/3  1.5
Ca1  .171 -.171 .270  1/3  1.5
Na2  .170 -.170 .131  2/3  1.5
Ca2  .170 -.170 .131  1/3  1.5
Na3  .162 -.162 .400  2/3  1.5
Ca3  .162 -.162 .400  1/3  1.5
Na4  .158 -.158 .536  2/3  1.5
Ca4  .158 -.158 .536  1/3  1.5
Na5  .160 -.160 .673  2/3  1.5
Ca5  .160 -.160 .673  1/3  1.5
P1      0     0 .195       1.2
P2      0     0 .938       1.2
P3      0     0 .327       1.1
P4      0     0 .805       1.2
P5      0     0 .069       1.1
O1      0     0 .159       2.0
O2      0     0 .289       1.0
O3      0     0 .031       2.1
O4      0     0 .767       3.9
O5      0     0 .900       2.2
O6   .116 -.116 .215       1.2
O7   .541 -.541 .274       1.3
O8   .543 -.543 .139       1.8
O9   .119 -.119 .345       1.2
O10  .882 -.882 .083       2.0
F1      0     0 .423       1.4
F2      0     0 .569       1.2
F3      0     0 .647       2.2
F4      0     0 .704       1.4
F5      0     0 .495       1.4
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Nacaphite
Download hom/nacaphite.pdf
Sokolova E V, Hawthorne F C
Download cm/vol39/CM39_1275.pdf
The Canadian Mineralogist 39 (2001) 1275-1294
The crystal chemistry of the [M3_11-14] trimeric structures:
From hyperagpaitic complexes to saline lakes
_database_code_amcsd 0005738
5.3232 12.2103 7.0961 90.002 89.998 89.965 P-1
atom        x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
CaM(1) -.2336 .8298 .4894 .50 .0160  .0180  .0147  .0154 -.0029   .0042 -.0029
NaM(1) -.2336 .8298 .4894 .50 .0160  .0180  .0147  .0154 -.0029   .0042 -.0029
NaM(2) -.2334 .8297 .0106 .53 .0150  .0176  .0133  .0140 -.0027  -.0027  .0028
CaM(2) -.2334 .8297 .0106 .47 .0150  .0176  .0133  .0140 -.0027  -.0027  .0028
NaM(3)  .2365 .9096 .2501 .95 .0203  .0245  .0182  .0183 -.0003   .0011  .0001
CaM(3)  .2365 .9096 .2501 .05 .0203  .0245  .0182  .0183 -.0003   .0011  .0001
NaM(4)  .2465 .6691 .0139 .55 .0239  .0503  .0111  .0103  .0010   .0052 -.0002
CaM(4)  .2465 .6691 .0139 .45 .0239  .0503  .0111  .0103  .0010   .0052 -.0002
NaM(5)  .2465 .6691 .4860 .51 .0251  .0508  .0130  .0118 -.0012  -.0035  .0003
CaM(5)  .2465 .6691 .4860 .49 .0251  .0508  .0130  .0118 -.0012  -.0035  .0003
Na     -.2638 .5875 .2502     .0251  .0107  .0138  .0507 -.0012   .0017  .0004
P(1)   -.2048 .5868 .7501     .0110  .0124  .0079  .0126 -.0016   .0012  .0002
P(2)    .2956 .9165 .7500     .0094  .0079  .0098  .0104 -.0002   .0007 -.0002
F(1)    .0038 .7371 .2498     .0220  .0073  .0204  .0383 -.0027   .0013  .0002
F(2)   -.4973 .7578 .2496     .0235  .0174  .0138  .0392 -.0028   .0015 -.0012
O(1)   -.4134 .9160 .7499     .0169  .0108  .0191  .0207 -.0013  -.0002  .0003
O(2)    .2011 .8563 .9262     .0220  .0330  .0172  .0160 -.0019   .0144  .0018
O(3)    .2007 .8563 .5738     .0227  .0355  .0169  .0159 -.0027  -.0131 -.0016
O(4)    .1995 .0348 .7502     .0215  .0223  .0094  .0328  .0032   .0002  .0000
O(5)   -.3035 .4690 .7503     .0232  .0225  .0086  .0384 -.0038   .0009 -.0009
O(6)    .0803 .5864 .7500     .0304  .0130  .0157  .0624 -.0011   .0005 -.0002
O(7)    -.295 .6475 .9240     .0633  .1165  .0140  .0594 -.0127   .0701 -.0120
O(8)    -.296 .6476 .5764     .0617  .1165  .0143  .0544 -.0129 -.00627  .0111
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure
 
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Total number of retrieved datasets: 2
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