Crystallography Open Database

Information card for entry 4319305

4319304 << 4319305 >> 4319306

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Coordinates	4319305.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag Cs5 Se27 Ti6
Calculated formula	Ag Cs5 Se27 Ti6
Title of publication	Polar Titanium Polychalcogenides: Syntheses and Characterization of Cs6Ti6S27, Cs4BaTi6Se27, Rb5AgTi6Se27, and Cs5AgTi6Se27
Authors of publication	Fu Qiang Huang; James A. Ibers
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	865 - 869
a	13.5713 ± 0.0004 Å
b	13.5713 ± 0.0004 Å
c	13.9367 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2222.97 ± 0.13 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	159
Hermann-Mauguin space group symbol	P 3 1 c
Hall space group symbol	P 3 -2c
Residual factor for all reflections	0.0224
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0462
Weighted residual factors for all reflections included in the refinement	0.0473
Goodness-of-fit parameter for all reflections included in the refinement	0.953
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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