Crystallography Open Database

Information card for entry 7704589

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Coordinates	7704589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba I6 O18 Ti
Calculated formula	Ba I6 O18 Ti
Title of publication	New polymorphism for BaTi(IO<sub>3</sub>)<sub>6</sub> with two polymorphs crystallizing in the same space group.
Authors of publication	Qian, Zhen; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	25
Pages of publication	8443 - 8447
a	11.4412 ± 0.0017 Å
b	11.4412 ± 0.0017 Å
c	11.1418 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	1263.1 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0226
Weighted residual factors for significantly intense reflections	0.056
Weighted residual factors for all reflections included in the refinement	0.0575
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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