Crystallography Open Database

Information card for entry 7243342

Preview

Coordinates	7243342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B4 Cu Mn4 Ni7 O20
Calculated formula	B4 Cu Mn4 Ni7 O20
Title of publication	Study of flux crystal growth peculiarities, structure and Raman spectra of double (Mn,Ni)3BO5 and triple (Mn,Ni,Cu)3BO5 oxyborates with ludwigite structure
Authors of publication	Moshkina, Evgeniya; Bovina, Asya; Molokeev, Maxim; Krylov, Alexander; Shabanov, Alexander; Chernyshov, Artem; Sofronova, Svetlana
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	33
Pages of publication	5624 - 5635
a	9.1828 ± 0.0003 Å
b	12.2766 ± 0.0003 Å
c	3.0091 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	339.227 ± 0.018 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.043
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.968
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
268656 (current)	2021-09-06	cif/ Updating files of 7243341, 7243342, 7243343 Original log message: Adding full bibliography for 7243341--7243343.cif.	7243342.cif
267951	2021-08-05	cif/ Adding structures of 7243341, 7243342, 7243343 via cif-deposit CGI script.	7243342.cif