Crystallography Open Database

Information card for entry 7704588

Preview

Coordinates	7704588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba3 I18 O54 Ti3
Calculated formula	Ba3 I18 O54 Ti3
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	10.9589 ± 0.0007 Å
b	10.9589 ± 0.0007 Å
c	11.1331 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1157.93 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0261
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	0.712
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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