Crystallography Open Database

Information card for entry 1572725

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Coordinates	1572725.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tetratitanium diiron carbide oxide
Formula	C0.82 Fe2 O0.18 Ti4
Calculated formula	C0.82 Fe2 O0.18 Ti4
Title of publication	Ti4Fe2C0.82O0.18
Authors of publication	Liu, Huizi; Fan, Changzeng; Wen, Bin; Zhang, Lifeng
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	9
a	11.323 ± 0.004 Å
b	11.323 ± 0.004 Å
c	11.323 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1451.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0371
Weighted residual factors for all reflections included in the refinement	0.0399
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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