American Mineralogist Crystal Structure Database

2 matching records for this search.

Cs3BiCl6
 
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D
 
Journal of Solid State Chemistry 65 (1986) 13-26
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal
structures of A2BMX6, A3MX6 and A2MX6
_cod_database_code 1004082
_database_code_amcsd 0013584
27.017 8.252 13.121 90 99.70 90 C2/c
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1     .25   .25    .5   .029   .026   .023  -.003   .007   .002
Bi2       0 .7835   .25   .025   .026   .020      0   .007      0
Cs1   .0496 .7444 .9317   .057   .082   .053   .015   .019   .024
Cs2   .1614 .8133 .2982   .036   .038   .052  -.001   .012  -.003
Cs3   .3462 .1863 .8546   .039   .033   .041   .003   .005  -.003
Cl1   .2492 .3890 .6871   .043   .040   .035  -.002   .010  -.004
Cl2   .3235 .4548 .4639   .072   .054   .040  -.029   .023  -.003
Cl3   .3269 .0549 .5813   .065   .056   .046   .026   .009   .012
Cl4   .0572 .5536 .1815   .051   .046   .047   .009   .016  -.006
Cl5  -.0583 .7739 .0641   .051   .090   .027   .003   .003  -.002
Cl6   .0576 .0263 .1928   .039   .047   .058   .001   .016   .017
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
CsK2BiCl6
 
Benachenhou F, Mairesse G, Nowogrocki G, Thomas D
 
Journal of Solid State Chemistry 65 (1986) 13-26
Structural studies of Cs-K-Bi mixed chlorides relation to the crystal
structures of A2BMX6, A3MX6 and A2MX6
_cod_database_code 1004083
_database_code_amcsd 0013585
25.653 7.799 12.874 90 99.24 90 C2/c
atom      x     y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1     .25   .25    .5   .026   .029   .029  -.002   .006   .005
Bi2       0 .7786   .25   .026   .022   .022      0   .008      0
Cs1   .0512 .7363 .9307   .042   .052   .043   .005   .008   .011
K1    .1622 .8129 .3004   .039   .036   .072   .005   .008   .004
K2    .3432 .1906 .8756   .045   .035   .063   .011   .018  -.003
Cl1   .2503 .3906 .6939   .062   .047   .034  -.009   .015  -.007
Cl2   .3275 .4665 .4708   .052   .063   .075  -.006   .010   .025
Cl3   .3267 .0274 .5771   .058   .062   .087   .005   .008   .035
Cl4   .0643 .5405 .1845   .055   .046   .043   .005   .008  -.008
Cl5  -.0589 .7653 .0600   .042   .061   .031   .001   .002  -.001
Cl6   .0642 .0310 .1991   .039   .036   .056  -.011   .018   .013
Download AMC data (View Text File)
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: 2
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