Crystallography Open Database

Information card for entry 1562444

Preview

Coordinates	1562444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Fe H2 O11 P3
Calculated formula	Ba Fe H2 O11 P3
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	7.6547 ± 0.0013 Å
b	8.6601 ± 0.0015 Å
c	6.8717 ± 0.0012 Å
α	101.237 ± 0.004°
β	96.874 ± 0.003°
γ	106.472 ± 0.004°
Cell volume	420.98 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.025
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0712
Weighted residual factors for all reflections included in the refinement	0.0714
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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