American Mineralogist Crystal Structure Database

3 matching records for this search.

Cr Cu P2 S6
 
Maisonneuve V, Cajipe V, Payen C
 
Chemistry of Materials 5 (1993) 758-760
Low-temperature neutron powder diffraction study of CuCrP2S6:
observation of an ordered, antipolar copper sublattice
_cod_database_code 1000355
_database_code_amcsd 0012200
5.935 10.282 13.368 90 106.78 90 Pb
atom    x    y    z
Cu1  .071    0 .355
Cu2  .441 .496 .148
Cr1     0 .332  .25
Cr2  .527 .830 .246
P1   .079 .337 .827
P2   .545 .838 .817
P3   .954 .668 .154
P4   .457 .837 .645
S1   .725 .996 .371
S2   .247 .491 .368
S3    .29 .011 .625
S4   .802 .491 .118
S5   .288 .176 .867
S6   .757 .682 .869
S7   .739 .826 .115
S8   .230 .684 .626
S9   .261 .183 .372
S10  .768 .668 .362
S11  .786 .832 .627
S12  .263 .688 .119
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Cr Cu P2 Se6
 
Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J
 
Journal of Alloys and Compounds 283 (1999) 122-127
Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr)
_cod_database_code 1004008
_database_code_amcsd 0012821
6.221 10.7702 6.935 90 107.09 90 C2
atom    x    y    z occ Biso
Cu1  .015 .663 .053  .5  4.8
Cr1     0 .330    0       .3
P1   .057    0 .168      1.3
Se1  .747 .674 .253     1.60
Se2  .260 .830 .249     1.60
Se3  .757 .489 .747     1.60
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Cu In P2 Se6
 
Bourdon X, Maisonneuve V, Cajipe V, Payen C, Fischer J
 
Journal of Alloys and Compounds 283 (1999) 122-127
Copper sublattice ordering in layered Cu M P2 Se6 (M = In, Cr)
_cod_database_code 1004009
_database_code_amcsd 0012822
6.4024 6.4024 13.3580 90 90 120 P-3c1
atom     x     y     z occ Biso
Cu1    2/3   1/3   .25  .4   2.
Cu2    2/3   1/3  .338  .3   2.
In1      0     0   .25      .71
P1     1/3   2/3 .1616      .04
Se1  .3324 .3359 .1189     1.11
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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