Crystallography Open Database

Information card for entry 1562447

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Coordinates	1562447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 Fe2 H6 O24 P6
Calculated formula	Ba3 Fe2 H6 O24 P6
Title of publication	Synthesis and characterization of novel barium iron phosphates: Insight into new structure types tailored by hydrogen atoms
Authors of publication	Sun, Li-Zhi; Sun, Wei; Ren, Wei-Jian; Zhang, Jia-Ying; Huang, Ya-Xi; Sun, Zhi-Mei; Pan, Yuanming; Mi, Jin-Xiao
Journal of publication	Journal of Solid State Chemistry
Year of publication	2014
Journal volume	212
Pages of publication	48 - 57
a	9.4376 ± 0.0018 Å
b	9.4376 ± 0.0018 Å
c	36.943 ± 0.007 Å
α	90°
β	90°
γ	120°
Cell volume	2849.6 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0205
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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