Crystallography Open Database

Information card for entry 4123413

Preview

Coordinates	4123413.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 B3 F O10 Rb3
Calculated formula	Al3 B3 F O10 Rb3
Title of publication	Beryllium-Free Rb3Al3B3O10F with Reinforced Interlayer Bonding as a Deep-Ultraviolet Nonlinear Optical Crystal.
Authors of publication	Zhao, Sangen; Gong, Pifu; Luo, Siyang; Liu, Sijie; Li, Lina; Asghar, Muhammad Adnan; Khan, Tariq; Hong, Maochun; Lin, Zheshuai; Luo, Junhua
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	6
Pages of publication	2207 - 2210
a	8.6819 ± 0.0005 Å
b	8.6819 ± 0.0005 Å
c	8.7423 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	570.67 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0974
Weighted residual factors for all reflections included in the refinement	0.0988
Goodness-of-fit parameter for all reflections included in the refinement	1.221
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
179036 (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 4/12/34.	4123413.cif
132899	2015-03-04	cif/ Updating files of 4123413 Original log message: Adding full bibliography for 4123413.cif.	4123413.cif
131205	2015-02-06	cif/ Adding structures of 4123413 via cif-deposit CGI script.	4123413.cif