Crystallography Open Database

Information card for entry 1546883

Preview

Coordinates	1546883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 Na4 O13 P3 Rb
Calculated formula	B2 Na4 O13 P3 Rb
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	24.0348 ± 0.0009 Å
b	6.7464 ± 0.0002 Å
c	14.9206 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2419.35 ± 0.15 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	0.0545
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	1546883.cif
199977	2017-08-29	cif/ Adding structures of 1546882, 1546883 via cif-deposit CGI script.	1546883.cif