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Crystal structure and X-ray powder diffraction data of barium copper iodate Ba2Cu(IO3)6

Published online by Cambridge University Press:  20 July 2023

Xiang Xu Open the ORCID record for Xiang Xu [Opens in a new window] ,
Chongxin Liu ,
Kang Wu  and
Hongxiang Chen
Xiang Xu*
Affiliation:
Center for Advanced Energy and Functional Materials, School of Materials Science and Engineering, Fujian University of Technology, Fuzhou 350118, China
Chongxin Liu
Affiliation:
Center for Advanced Energy and Functional Materials, School of Materials Science and Engineering, Fujian University of Technology, Fuzhou 350118, China
Kang Wu
Affiliation:
Center for Advanced Energy and Functional Materials, School of Materials Science and Engineering, Fujian University of Technology, Fuzhou 350118, China
Hongxiang Chen
Affiliation:
Center for Advanced Energy and Functional Materials, School of Materials Science and Engineering, Fujian University of Technology, Fuzhou 350118, China
*
a)Author to whom correspondence should be addressed. Electronic mail: xiang.xu@fjut.edu.cn
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Abstract

X-ray powder diffraction data, unit-cell parameters, and space group for the barium copper iodate, Ba2Cu(IO3)6, are reported [a = 7.48540(15) Å, b = 7.51753(19) Å, c = 7.64259(17) Å, α = 98.8823(7)°, β = 95.0749(7)°, γ = 97.6297(7)°, V = 418.528(9) Å3, Z = 1, and space group P$\bar{1}$]. All measured lines are indexed and are consistent with the corresponding space group. The single-crystal diffraction data of Ba2Cu(IO3)6 are also reported [a = 7.493(3) Å, b = 7.521(6) Å, c = 7.644(5) Å, α = 98.855(18)°, β = 95.060(16)°, γ = 97.62(2)°, V = 419.3(5) Å3, Z = 1, and space group P$\bar{1}$]. The crystal structure of Ba2Cu(IO3)6 features isolated [Cu(IO3)6]4− anionic clusters separated by Ba2+ cations. The experimental powder diffraction pattern matches well with the simulated pattern derived from the single crystal data.

Keywords

X-ray powder diffraction datacrystal structureinorganic compoundmetal iodate
Type
New Diffraction Data
Information
Powder Diffraction , Volume 38 , Issue 3 , September 2023 , pp. 220 - 223
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Copyright
Copyright © The Author(s), 2023. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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