Crystallography Open Database

Information card for entry 7721025

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ba3NbRu2O9
Formula	Ba3 Nb O9 Ru2
Calculated formula	Ba3 Nb O9 Ru2
Title of publication	Beyond layer stacking: molecular Ru<sub>2</sub>O<sub>9</sub> dimer correlations in pressure-synthesized Ba<sub>3</sub>NbRu<sub>2</sub>O<sub>9</sub>.
Authors of publication	Peng, Cheng; Xu, Mingyu; Li, Jie; Xie, Weiwei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	21
Pages of publication	8413 - 8420
a	5.7289 ± 0.0006 Å
b	5.7289 ± 0.0006 Å
c	14.1211 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	401.37 ± 0.08 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0659
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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

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