Crystallography Open Database

Information card for entry 4121994

4121993 << 4121994 >> 4121995

Preview

Coordinates	4121994.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 O14 P4 Rb2
Calculated formula	Ba3 O14 P4 Rb2
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	8.9487 ± 0.0002 Å
b	9.4087 ± 0.0002 Å
c	18.4277 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1551.53 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1148
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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.	4121994.cif
119150	2014-07-05	cif/ Updating files of 4121993, 4121994 Original log message: Adding full bibliography for 4121993--4121994.cif.	4121994.cif
116387	2014-06-11	cif/ Adding structures of 4121993, 4121994 via cif-deposit CGI script.	4121994.cif