Crystallography Open Database

Information card for entry 1565386

Preview

Coordinates	1565386.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al2.69 B50
Calculated formula	Al2.686 B50
Title of publication	The discovery of a superhard P-type transparent semiconductor: Al<sub>2.69</sub>B<sub>50</sub>.
Authors of publication	Zheng, Xu; Yan, Dayu; Yi, Changjiang; Zhu, Jinlong; Zhang, Qinghua; Zhai, Junyi; Ma, Teng; Zhu, Pinwen; Li, Hui; Gu, Lin; Zhao, Yusheng; Yao, Yugui; Shi, Youguo; Yu, Xiaohui; Jin, Changqing
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	2
Pages of publication	748 - 755
a	12.661 ± 0.003 Å
b	12.337 ± 0.002 Å
c	5.0928 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	795.5 ± 0.3 Å³
Cell temperature	655 ± 2 K
Ambient diffraction temperature	655 ± 2 K
Number of distinct elements	2
Space group number	67
Hermann-Mauguin space group symbol	C m m a
Hall space group symbol	-C 2a 2
Residual factor for all reflections	0.0667
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1633
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273437 (current)	2022-03-05	cif/ Updating files of 1565386 Original log message: Adding full bibliography for 1565386.cif.	1565386.cif
270849	2021-11-24	cif/ Adding structures of 1565386 via cif-deposit CGI script.	1565386.cif