Crystallography Open Database

Information card for entry 4329322

Preview

Structure parameters

Formula	In0.94 Ni0.04 O4 Ta1.02
Calculated formula	In0.94451 Ni0.03699 O4 Ta1.01849
Title of publication	Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type
Authors of publication	Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6096 - 6103
a	4.824528 ± 0.000027 Å
b	5.773787 ± 0.00003 Å
c	5.155303 ± 0.000025 Å
α	90°
β	91.3764 ± 0.0003°
γ	90°
Cell volume	143.564 ± 0.0013 Å³
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
RFsqd	0.03132
Goodness-of-fit parameter for all reflections	0.91
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.697255 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4329322.html