Crystallography Open Database

Information card for entry 4517939

Preview

Coordinates	4517939.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B6 O12 Se Zn4
Calculated formula	B6 O12 Se Zn4
Title of publication	Intrinsic Isotropic Near-Zero Thermal Expansion in Zn<sub>4</sub>B<sub>6</sub>O<sub>12</sub>X (X = O, S, Se).
Authors of publication	Liu, Youquan; Mei, Dajiang; Wang, Naizheng; Molokeev, Maxim S.; Jiang, Xingxing; Lin, Zheshuai
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	34
Pages of publication	38435 - 38440
a	7.68194 ± 0.00008 Å
b	7.68194 ± 0.00008 Å
c	7.68194 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	453.328 ± 0.008 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor R(I) for significantly intense reflections	1.59
Goodness-of-fit parameter for all reflections	7.19
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~~2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
255857 (current)	2020-09-04	cif/ Updating files of 4517906, 4517907, 4517908, 4517909, 4517910, 4517911, 4517912, 4517913, 4517914, 4517915, 4517916, 4517917, 4517918, 4517919, 4517920, 4517921, 4517922, 4517923, 4517924, 4517925, 4517926, 4517927, 4517928, 4517929, 4517930, 4517931, 4517932, 4517933, 4517934, 4517935, 4517936, 4517937, 4517938, 4517939, 4517940, 4517941, 4517942, 4517943, 4517944, 4517945, 4517946, 4517947, 4517948, 4517949, 4517950, 4517951, 4517952 Original log message: Adding full bibliography for 4517906--4517952.cif.	4517939.cif
255386	2020-08-18	cif/ Adding structures of 4517939 via cif-deposit CGI script.	4517939.cif