Klein S, Reinen D
Journal of Solid State Chemistry 25 (1978) 295-299
The structure of the high temperature alpha modification of Cs2PbCu(NO2)6 and
the Jahn-Teller induced alpha-beta phase transition
- a neutron diffraction study
_cod_database_code 1008029
_database_code_amcsd 0015976
10.97 10.97 10.97 90 90 90 Fm3
atom x y z
Cs1 .25 .25 .25
Pb1 0 0 .5
Cu1 0 0 0
N1 0 0 .1981
O1 0 .0968 .2612
Journal of Solid State Chemistry 32 (1980) 311-319
The Structure of the Low-Temperature gamma-Modification of Cs2PbCu(NO2)6:
A Powder Neutron Diffraction Study at 160 K
_cod_database_code 1008094
_database_code_amcsd 0016036
7.734 15.531 21.376 90 90 90.10 B2/b
atom x y z occ
Cs1 .125 .375 .125
Cs2 -.375 .875 .125
Pb1 0 0 .25 .5
Pb2 .5 .5 .25 .5
Cu2 .5 .5 0
N1 0 0 .0969
N2 .5 .5 .0969
N3 .928 .928 0
N4 .7100 .7100 0
N5 .8950 .1050 0
N6 .5964 .4036 0
O1 .951 .049 .1251
O2 .049 .951 .1251
O3 .451 .549 .1251
O4 .549 .451 .1251
O5 .2588 .2588 -.0498
O6 .2588 .2588 .0498
O7 .2412 .7588 .0498
O8 .2412 .7588 -.0498
O9 .9626 .2242 0
O10 .7758 .0374 0
O11 .7242 .4626 0
O12 .5374 .7242 0
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