Crystallography Open Database

Information card for entry 1546882

Preview

Coordinates	1546882.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Cs Na4 O13 P3
Calculated formula	B2 Cs Na4 O13 P3
Title of publication	Low-temperature-flux syntheses of ultraviolet-transparent borophosphates Na <sub>4</sub> MB <sub>2</sub> P <sub>3</sub> O <sub>13</sub> (M = Rb, Cs) exhibiting a second-harmonic generation response
Authors of publication	Wu, Chao; Li, Longhua; Yang, Gang; Song, Junling; Yan, Bing; Humphrey, Mark G.; Zhang, Long; Shao, Jianda; Zhang, Chi
Journal of publication	Dalton Transactions
Year of publication	2017
Journal volume	46
Journal issue	37
Pages of publication	12605 - 12611
a	24.5034 ± 0.0009 Å
b	6.7673 ± 0.0002 Å
c	14.7803 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2450.9 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
282777 (current)	2023-04-20	cod/ (saulius@starta) Updating COD bibliographies for 271 COD entries identified by R.M.	1546882.cif
199977	2017-08-29	cif/ Adding structures of 1546882, 1546883 via cif-deposit CGI script.	1546882.cif