American Mineralogist Crystal Structure Database

3 matching records for this search.

Tavorite
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Marx N, Croguennec L, Carlier D, Wattiaux A, Le Cras F, Suard E, Delmas C
 
Dalton Transactions 39 (2010) 5108-5116
The structure of tavorite LiFePO4(OH) from diffraction and GGA + U
studies and its preliminary electrochemical characterization
Locality: synthetic
_database_code_amcsd
5.3528 7.2896 5.1187 109.359 97.733 106.359 P-1
atom    x    y    z Biso
Li   .610 .187 .255  1.4
Fe1     0   .5    0   .5
Fe2     0    0    0  1.0
P    .638 .769 .326   .5
O1   .660 .879 .112   .7
O2   .338 .664 .313  1.0
O3   .950 .278 .163   .7
O4   .789 .614 .268  1.0
O5   .241 .066 .367   .9
H    .069 .342 .355  3.0
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Nasicon chromous high
 
Lucazeau G, Barj M, Soubeyroux J, Dianoux A, Delmas C
 
Solid State Ionics 1819 (1986) 959-963
Neutron scattering annd diffraction study of Na3 Cr2 P3 O12,
Na Zr2 P3O12 and Na3 Zr Mg P3 O12
_cod_database_code 1008765
_database_code_amcsd 0016642
8.6548 8.6548 21.82179 90 90 120 R-3c
atom     x      y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Cr1      0      0 .1474
P1   .2879      0   .25
O1   .1725 -.0355 .1943
O2   .1919  .1664 .0902
Na1      0      0     0  .73   14.2   14.2     .9    7.1      0      0
Na2  .6275      0   .25  .73    2.1    2.0    8.0     1.    .05    .05
Na3   -.02   -.16  -.04 .006
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Cr2 Na3 O12 P3
 
Lucazeau G, Barj M, Soubeyroux J, Dianoux A, Delmas C
 
Solid State Ionics 1819 (1986) 959-963
Neutron scattering and diffraction study of Na3 Cr2 P3 O12, Na Zr2 P3 O12
and Na3 Zr Mg P3 O12
_cod_database_code 1008846
_database_code_amcsd 0016712
8.6476 8.6476 21.6169 90 90 120 R-3c
atom     x      y     z occ
Cr1      0      0 .1465
P1   .2911      0   .25
O1   .1746 -.0306 .1934
O2   .1925  .1675 .0899
Na1      0      0     0 .79
Na2  .6315      0   .25 .73
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Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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