Crystallography Open Database

Information card for entry 4327328

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Coordinates	4327328.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Bi Cu P2 Se6
Calculated formula	Bi Cu P2 Se6
Title of publication	On the Lamellar Compounds CuBiP2Se6, AgBiP2Se6 and AgBiP2S6. Antiferroelectric Phase Transitions Due to Cooperative Cu+ and Bi3+ Ion Motion
Authors of publication	Matthew A. Gave; Daniel Bilc; S. D. Mahanti; Jean D. Breshears; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	5293 - 5303
a	6.5532 ± 0.0016 Å
b	6.5532 ± 0.0016 Å
c	39.762 ± 0.013 Å
α	90°
β	90°
γ	120°
Cell volume	1478.8 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0504
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1168
Goodness-of-fit parameter for all reflections included in the refinement	1.199
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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