Crystallography Open Database

Information card for entry 4517316

Preview

Coordinates	4517316.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B10 Ca4 Cl2 O18
Calculated formula	B10 Ca4 Cl2 O18
Title of publication	Ca<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl and Sr<sub>2</sub>B<sub>5</sub>O<sub>9</sub>Cl: Nonlinear Optical Crystals with Deep-Ultraviolet Transparency Windows.
Authors of publication	Wang, Zujian; He, Jiangang; Hu, Bing; Shan, Pai; Xiong, Zheyao; Su, Rongbing; He, Chao; Yang, Xiaoming; Long, Xifa
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	4
Pages of publication	4632 - 4637
a	11.1369 ± 0.0006 Å
b	11.2626 ± 0.0005 Å
c	6.2995 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	790.15 ± 0.07 Å³
Cell temperature	101.3 ± 0.3 K
Ambient diffraction temperature	101.3 ± 0.3 K
Number of distinct elements	4
Space group number	34
Hermann-Mauguin space group symbol	P n n 2
Hall space group symbol	P 2 -2n
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
247519 (current)	2020-02-04	cif/ Updating files of 4517315, 4517316 Original log message: Adding full bibliography for 4517315--4517316.cif.	4517316.cif
246919	2020-01-17	cif/ Adding structures of 4517316 via cif-deposit CGI script.	4517316.cif