Crystallography Open Database

Information card for entry 2023466

2023465 << 2023466 >> 2023467

Preview

Coordinates	2023466.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Disodium barium zirconium bis(orthosilicate)
Formula	Ba Na2 O8 Si2 Zr
Calculated formula	Ba Na2 O8 Si2 Zr
Title of publication	Orthosilicates with glaserite-type crystal structures: Na<sub>2</sub>BaZr[SiO<sub>4</sub>]<sub>2</sub> and Na<sub>2</sub>BaHf[SiO<sub>4</sub>]<sub>2</sub>.
Authors of publication	Yamane, Hisanori; Funahashi, Shiro; Hirosaki, Naoto; Takeda, Takashi
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2025
Journal volume	81
Journal issue	Pt 5
Pages of publication	368 - 371
a	5.3966 ± 0.0002 Å
b	5.3966 ± 0.0002 Å
c	7.2153 ± 0.0003 Å
α	90°
β	90°
γ	120°
Cell volume	181.981 ± 0.012 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0187
Residual factor for significantly intense reflections	0.0158
Weighted residual factors for significantly intense reflections	0.0343
Weighted residual factors for all reflections included in the refinement	0.0352
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation probe	x-ray
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
299936 (current)	2025-06-03	cif/ Updating files of 2023466, 2023467 Original log message: Adding full bibliography for 2023466--2023467.cif.	2023466.cif
299234	2025-04-09	cif/ Adding structures of 2023466, 2023467 via cif-deposit CGI script.	2023466.cif