Crystallography Open Database

Information card for entry 4116448

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Coordinates	4116448.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	dititanium hexaniobium dodecaoxide
Formula	Nb6 O12 Ti2
Calculated formula	Nb6 O12 Ti2.16
Title of publication	Ti2Nb6O12, a Novel Niobium Oxide Cluster Compound with "Chevrel Phase" Intercluster Connectivity Type
Authors of publication	Ekaterina V. Anokhina; Michael W. Essig; Cynthia S. Day; Abdessadek Lachgar
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	6827 - 6833
a	7.9364 ± 0.0005 Å
b	7.9364 ± 0.0005 Å
c	14.4339 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	787.34 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0219
Residual factor for significantly intense reflections	0.018
Weighted residual factors for significantly intense reflections	0.0342
Weighted residual factors for all reflections included in the refinement	0.0349
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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