Crystallography Open Database

Information card for entry 4512563

Preview

Coordinates	4512563.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O5 Ti3
Calculated formula	O5 Ti3
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	9.9695 ± 0.0007 Å
b	5.0739 ± 0.0003 Å
c	7.1817 ± 0.0005 Å
α	90°
β	109.863 ± 0.0006°
γ	90°
Cell volume	341.67 ± 0.04 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	2
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/c 1
Hall space group symbol	-I 2yc
Residual factor for all reflections	0.01547
RFsqd	0.01545
Residual factor R(I) for significantly intense reflections	0.03527
Goodness-of-fit parameter for all reflections	1.4279
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
179672 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/25.	4512563.cif
132759	2015-03-04	cif/ Updating files of 4512562, 4512563 Original log message: Adding full bibliography for 4512562--4512563.cif.	4512563.cif
129743	2015-01-17	cif/ Adding structures of 4512563 via cif-deposit CGI script.	4512563.cif