Crystallography Open Database

Information card for entry 4134711

Preview

Coordinates	4134711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li0.687 Nb5 O15 Pb2.157
Calculated formula	Li0.685 Nb5 O15 Pb2.1565
Title of publication	Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion.
Authors of publication	Lin, Kun; Gong, Pifu; Chu, Shihang; Li, Qiang; Lin, Zheshuai; Wu, Hui; Wang, Qingxiao; Wang, Jinguo; Kim, Moon J.; Kato, Kenichi; Wang, Chin-Wei; Liu, Xinzhi; Huang, Qingzhen; Chen, Jun; Zhu, He; Deng, Jinxia; Xing, Xianran
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	16
Pages of publication	7480 - 7486
a	12.38233 ± 0.00011 Å
b	12.66874 ± 0.00012 Å
c	7.66215 ± 0.00006 Å
α	90°
β	90°
γ	90°
Cell volume	1201.95 ± 0.018 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	31
Hermann-Mauguin space group symbol	P n 21 m
Hall space group symbol	P -2 -2bc
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for all reflections	0.0653
Weighted residual factors for significantly intense reflections	0.0629
Goodness-of-fit parameter for all reflections	2.13
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation wavelength	2.0775 Å
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251452 (current)	2020-05-04	cif/ Updating files of 4134711 Original log message: Adding full bibliography for 4134711.cif.	4134711.cif
250785	2020-04-16	cif/ Adding structures of 4134711 via cif-deposit CGI script.	4134711.cif