Crystallography Open Database

Information card for entry 4121993

4121992 << 4121993 >> 4121994

Preview

Coordinates	4121993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 O15 P5 Rb
Calculated formula	Ba2 O15 P5 Rb
Title of publication	Deep-Ultraviolet Transparent Phosphates RbBa2(PO3)5 and Rb2Ba3(P2O7)2 Show Nonlinear Optical Activity from Condensation of [PO4](3-) Units.
Authors of publication	Zhao, Sangen; Gong, Pifu; Luo, Siyang; Bai, Lei; Lin, Zheshuai; Ji, Chengmin; Chen, Tianliang; Hong, Maochun; Luo, Junhua
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	24
Pages of publication	8560 - 8563
a	8.6814 ± 0.0002 Å
b	7.3122 ± 0.0002 Å
c	13.837 ± 0.0004 Å
α	90°
β	128.498 ± 0.002°
γ	90°
Cell volume	687.44 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0598
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
179021 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/19.	4121993.cif
119150	2014-07-05	cif/ Updating files of 4121993, 4121994 Original log message: Adding full bibliography for 4121993--4121994.cif.	4121993.cif
116387	2014-06-11	cif/ Adding structures of 4121993, 4121994 via cif-deposit CGI script.	4121993.cif