Crystallography Open Database

Information card for entry 2109076

Preview

Coordinates	2109076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3
Calculated formula	Al0.1 B Fe0.45 Mg2.15 O5 Ti0.3
Title of publication	X-ray diffraction and Mössbauer spectroscopy study of oxoborate azoproite (Mg,Fe^2+^)~2~(Fe^3+^,Ti,Mg,Al)O~2~(BO~3~): an <i>in situ</i> temperature-dependent investigation (5 {łeq} <i>T</i> {łeq} 1650K)
Authors of publication	Biryukov, Yaroslav P.; Zinnatullin, Almaz L.; Levashova, Irina O.; Shablinskii, Andrey P.; Cherosov, Mikhail A.; Bubnova, Rimma S.; Vagizov, Farit G.; Krzhizhanovskaya, Maria G.; Filatov, Stanislav K.; Shilovskikh, Vladimir V.; Pekov, Igor V.
Journal of publication	Acta Crystallographica Section B
Year of publication	2022
Journal volume	78
Journal issue	6
a	9.246 ± 0.0014 Å
b	12.2731 ± 0.0018 Å
c	3.0092 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	341.48 ± 0.09 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.0601
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0679
Weighted residual factors for all reflections included in the refinement	0.069
Goodness-of-fit parameter for significantly intense reflections	3.02
Goodness-of-fit parameter for all reflections included in the refinement	2.76
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278940 (current)	2022-11-04	cif/ hkl/ Adding structures of 2109076 via cif-deposit CGI script.	2109076.cif