Crystallography Open Database

Information card for entry 1569644

Preview

Coordinates	1569644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al0.28 B4 Bi0.07 Fe2.72 O12 Sm0.93
Calculated formula	Al0.2799 B4 Bi0.07 Fe2.7201 O12 Sm0.93
Title of publication	Crystal Structure of Bismuth-Containing Samarium Iron–Aluminium Borates Sm1−xBixFe3−yAly(BO3)4 (x = 0.05–0.07, y = 0–0.28) in the Temperature Range of 25–500 K
Authors of publication	Smirnova, Ekaterina S.; Alekseeva, Olga A.; Artemov, Vladimir V.; Sorokin, Timofei A.; Khmelenin, Dmitry N.; Sidorova, Ekaterina V.; Frolov, Kirill V.; Gudim, Irina A.
Journal of publication	Crystals
Year of publication	2023
Journal volume	13
Journal issue	7
Pages of publication	1128
a	9.545 ± 0.0001 Å
b	9.545 ± 0.0001 Å
c	7.5598 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	596.476 ± 0.012 Å³
Cell temperature	109.9 ± 0.3 K
Ambient diffraction temperature	109.9 K
Number of distinct elements	6
Space group number	155
Hermann-Mauguin space group symbol	R 3 2 :H
Hall space group symbol	R 3 2"
Residual factor for all reflections	0.0164
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.0379
Weighted residual factors for all reflections included in the refinement	0.0379
Goodness-of-fit parameter for significantly intense reflections	1
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285561 (current)	2023-08-05	cif/ Adding structures of 1569644 via cif-deposit CGI script.	1569644.cif