Crystallography Open Database

Information card for entry 7243393

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Coordinates	7243393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Cu5.994 Ni0.006 O24
Calculated formula	B12 Cu5.994 Ni0.006 O24
Title of publication	Metastable growth and infrared spectra of CuB2O4:Ni single crystals
Authors of publication	Moshkina, Evgeniya; Molokeev, Maxim; Belskaya, Nadejda; Nemtsev, Ivan; Molchanova, Anastasiia; Boldyrev, Kirill
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	38
Pages of publication	6761 - 6768
a	11.4978 ± 0.00015 Å
b	11.4978 ± 0.00015 Å
c	5.62608 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	743.764 ± 0.017 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor R(I) for significantly intense reflections	1.18
Goodness-of-fit parameter for all reflections	1.58
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~~2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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