Crystallography Open Database

Information card for entry 7248397

Preview

Coordinates	7248397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Co1.76 Ni4.24 O12
Calculated formula	B4 Co1.76 Ni4.24 O12
Title of publication	Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates
Authors of publication	Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	19
Pages of publication	2536 - 2543
a	4.4917 ± 0.0006 Å
b	5.4314 ± 0.0008 Å
c	8.3789 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	204.41 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0321
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0783
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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
292954 (current)	2024-07-05	cif/ Updating files of 7248397 Original log message: Adding full bibliography for 7248397.cif.	7248397.cif
291201	2024-04-16	cif/ Adding structures of 7248397 via cif-deposit CGI script.	7248397.cif