American Mineralogist Crystal Structure Database

3 matching records for this search.

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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Heklaite
 
Fischer J, Kramer V
 
Materials Research Bulletin 26 (1991) 925-930
Crystal structure of KNaSiF_6_
Locality: synthetic
_database_code_amcsd 0014361
9.3246 5.4992 9.7892 90 90 90 Pnma
atom     x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .5136   .25 .1798  .0316  .0277  .0216      0  .0028      0
Na   .3718   .25 .5596  .0364  .0232  .0279      0  .0025      0
Si   .2290   .25 .9206  .0192  .0162  .0191      0  .0009      0
F1   .3274 .4660 .9941  .0660  .0350  .0527 -.0218 -.0219  .0020
F2   .1254 .0367 .8548  .0892  .0543  .0658 -.0364 -.0381 -.0016
F3   .1244   .25 .0601  .0480  .1252  .0426      0  .0260      0
F4   .3313   .25 .7843  .0690  .1162  .0342      0  .0261      0
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 3
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