Crystallography Open Database

Information card for entry 4512562

Preview

Coordinates	4512562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O10 Ti6
Calculated formula	O10 Ti6
Title of publication	Structural Phase Transition between γ-Ti3O5and δ-Ti3O5by Breaking of a One-Dimensionally Conducting Pathway
Authors of publication	Tanaka, Kenji; Nasu, Tomomichi; Miyamoto, Yasuto; Ozaki, Noriaki; Tanaka, Shu; Nagata, Toshiaki; Hakoe, Fumiyoshi; Yoshikiyo, Marie; Nakagawa, Kosuke; Umeta, Yoshikazu; Imoto, Kenta; Tokoro, Hiroko; Namai, Asuka; Ohkoshi, Shin-ichi
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	653
a	9.9651 ± 0.0007 Å
b	5.0604 ± 0.0004 Å
c	7.2114 ± 0.0005 Å
α	90°
β	109.332 ± 0.0009°
γ	90°
Cell volume	343.15 ± 0.04 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	2
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/a 1
Hall space group symbol	-P 2ya
Residual factor for all reflections	0.0148
RFsqd	0.01487
Residual factor R(I) for significantly intense reflections	0.02483
Goodness-of-fit parameter for all reflections	1.3629
Method of determination	powder diffraction
Diffraction radiation wavelength	1.54059 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4512562.cif
132759	2015-03-04	cif/ Updating files of 4512562, 4512563 Original log message: Adding full bibliography for 4512562--4512563.cif.	4512562.cif
129742	2015-01-17	cif/ Adding structures of 4512562 via cif-deposit CGI script.	4512562.cif