Crystallography Open Database

Information card for entry 7219903

7219902 << 7219903 >> 7219904

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Coordinates	7219903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B5 H3 O11 Sr2
Calculated formula	B5 H3 O11 Sr2
Title of publication	Synthesis, characterization and theoretical studies of nonlinear optical crystal Sr2B5O9(OH)·H2O.
Authors of publication	Zhang, Fangyuan; Zhang, Fangfang; Qun, Jing; Pan, Shilie; Yang, Zhihua; Jia, Dianzeng
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2015
Journal volume	17
Journal issue	16
Pages of publication	10489 - 10496
a	10.2342 ± 0.0015 Å
b	8.024 ± 0.0013 Å
c	6.3898 ± 0.0009 Å
α	90°
β	127.882 ± 0.007°
γ	90°
Cell volume	414.15 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0183
Residual factor for significantly intense reflections	0.0174
Weighted residual factors for significantly intense reflections	0.0387
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	0.927
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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