American Mineralogist Crystal Structure Database

4 matching records for this search.

Ferrotychite
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Malinovskii Yu A, Baturin S V, Belov N V
 
Doklady Akademii Nauk SSSR 249 (1979) 1365-1368
The crystal structure of Fe-tychite
_database_code_amcsd 0012463
13.962 13.962 13.962 90 90 90 *Fd3
.125 .125 .125
atom      x      y      z Biso  B(1,1)  B(2,2)  B(3,3)   B(1,2)   B(1,3)   B(2,3)
Na   .90822   .125   .125 1.42 .001231 .002129 .002244  .000000  .000000  .000846
Fe       .5     .5     .5  .56 .000731 .000731 .000731 -.000026 -.000026 -.000026
S      .125   .125   .125  .85 .001064 .001064 .001064  .000000  .000000  .000000
C    .28077 .28077 .28077  .66 .000846 .000846 .000846  .000000  .000000  .000000
O1   .93631 .93631 .93631 1.41 .001808 .001808 .001808 -.000333 -.000333 -.000333
O2   .22233 .26721 .35078  .94 .001206 .001590 .001000  .000000  .000372  .000218
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Nabaphite
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Baturin S V, Malinovskii Y A, Belov N V
 
Doklady Akademii Nauk SSSR 266 (1982) 624-627
The crystal structure of nabaphite NaBa[PO4]*9H2O
_database_code_amcsd 0012473
10.7116 10.7116 10.7116 90 90 90 P2_13
atom     x     y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na   .6808 .6808 .6808     2.24  .0048  .0048  .0048 -.0009 -.0009 -.0009
Ba    .052  .052  .052     1.54  .0034  .0034  .0034 -.0001 -.0001 -.0001
P     .428  .428  .428     1.41  .0030  .0030  .0030  .0001  .0001  .0001
O4    .345  .345  .345 .86
O5    .511  .511  .511 .14
O6   .5605 .4379 .3663 .28
O7    .388  .501  .307 .39
O8    .555  .363  .455 .33
Wat1 .4017 .0885 .3383     2.91  .0087  .0043  .0049      0 -.0014 -.0011
Wat2 .2989 .1434  .041     2.70  .0038  .0088  .0053 -.0017 -.0003 -.0020
Wat3 .5961 .2879  .159     2.32  .0031  .0056  .0059  .0015  .0010  .0001
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Weeksite
Download hom/weeksite.pdf
Baturin S V
 
Doklady Akademii Nauk SSSR 282 (1985) 1132-1136
Crystal-structure of weeksite
_database_code_amcsd 0018510
7.092 17.888 7.113 90 90 90 Cmmm
atom    x     y    z occ Biso
U       0 .1982    0     1.15
Si1     0 .3744    0      1.1
Si2     0     0 .117  .5  1.0
Si3  .095    .5 .282  .5  1.1
O1      0  .199 .248      1.1
O2   .174  .316    0      1.3
O3      0  .427 .190      2.4
O4      0  .071    0     11.0
O5      0    .5   .5      2.9
O6   .179     0 .268  .5  2.8
Wat1    0     0   .5      6.4
Wat2 .179  .325   .5 .50  3.8
K    .179  .325   .5 .31  3.8
Na   .179  .325   .5 .19  3.8
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Nastrophite
Download hom/nastrophite.pdf
Baturin S V, Malinovskii Y A, Belov N V
 
Soviet Physics Doklady 26 (1981) 1023-1026
The crystal structure of nastrophite Na(Sr,Ba)[PO4]*9H2O
_database_code_amcsd 0015610
10.559 10.559 10.559 90 90 90 P2_13
atom     x     y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na   .6765 .6765 .6765       2.5  .0054  .0054  .0054 -.0008 -.0008 -.0008
Sr   .0533 .0533 .0533  .94  1.5  .0033  .0033  .0033      0      0      0
Ba   .0533 .0533 .0533  .03  1.5  .0033  .0033  .0033      0      0      0
Ca   .0533 .0533 .0533  .03  1.5  .0033  .0033  .0033      0      0      0
P    .4243 .4243 .4243       1.4  .0032  .0032  .0032 -.0007 -.0007 -.0007
O4   .3402 .3402 .3402  .44  3.3
O5   .5544 .4472 .3595  .44  2.4
O6   .5573 .3780 .4768  .27  2.4
O7   .5189 .3142 .3982  .25  2.4
O8   .3850 .4100 .5600  .04
O9   .3100 .3900 .3400 .187
Ow1  .3991 .0835 .3464       2.7  .0071  .0058  .0051 -.0004 -.0008 -.0009
Ow2  .2892 .1332 .0466       2.5  .0043  .0076  .0061 -.0011 -.0004  .0011
Ow3  .5994 .2910 .1499       2.6  .0062  .0055  .0054  .0013  .0015  .0014
H1     .39   .18   .38
H2     .43   .09   .28
H3     .34   .09   .08
H4     .33   .23   .06
H5     .57   .21   .14
H6     .54   .33   .22
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Total number of retrieved datasets: 4
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