Crystallography Open Database

Information card for entry 7055226

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Coordinates	7055226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 Ca3 Nd3 O15
Calculated formula	B5 Ca3 Nd3 O15
Title of publication	Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties
Authors of publication	Wang, Xing; Xia, Mingjun; Li, R. K.
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	3
Pages of publication	2057
a	10.4864 ± 0.0002 Å
b	10.4864 ± 0.0002 Å
c	6.2665 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	596.772 ± 0.019 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0245
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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