Crystallography Open Database

Information card for entry 7061927

7061926 << 7061927 >> 7061928

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Coordinates	7061927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B12 Ba0.58 Ca0.42 Li7 O24 Sc
Calculated formula	B12 Ba0.584 Ca0.416 Li7.0002 O24 Sc
Title of publication	Li7SrScB12O24 and Li7Ba0.6Ca0.4ScB12O24: two new quaternary rare-earth borates with short UV cutoff edges
Authors of publication	Chen, Jianbang; Zhang, Jie; Zhu, Aixin; Huang, Xuchu
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	41
Pages of publication	19629 - 19632
a	14.9 ± 0.0006 Å
b	14.9 ± 0.0006 Å
c	6.5867 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	1266.4 ± 0.12 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0253
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0655
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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