Crystallography Open Database

Information card for entry 7243101

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Coordinates	7243101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 Cs Ga H3 Na O13
Calculated formula	B6 Cs Ga H3 Na O13
Title of publication	From [B6O13]8− to [GaB5O13]8− to [Ga{B5O9(OH)}{BO(OH)2}]2−: synthesis, structure and nonlinear optical properties of new metal borates
Authors of publication	Qiu, Qi-Ming; Yang, Guo-Yu
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	30
Pages of publication	5200 - 5207
a	7.027 ± 0.002 Å
b	8.039 ± 0.002 Å
c	11.442 ± 0.004 Å
α	108.567 ± 0.01°
β	93.633 ± 0.011°
γ	90.442 ± 0.011°
Cell volume	611.2 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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