Crystallography Open Database

Information card for entry 7063074

Preview

Coordinates	7063074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba5 O40 Si8 Y12 Zn
Calculated formula	Ba5 O40 Si8 Y12 Zn
Title of publication	Ba5Y12Zn[O(SiO4)]8: a novel non-centrosymmetric silicate with a short ultraviolet cut-off edge featuring [ZnSi4O16] and [SiO4] units
Authors of publication	Ababaikeri, Aihaimaitijiang; Pan, Xueting; Tuniyazi, Gulimeikereyi; Jiang, Xiangzhan; Zhang, Yanhui; Malik, Dilnur
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	8
Pages of publication	3594 - 3602
a	18.7014 ± 0.0006 Å
b	18.7014 ± 0.0006 Å
c	5.364 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1876.02 ± 0.11 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0468
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7063074.html