碘酸铜钡Ba2Cu（IO3）6的晶体结构和X射线粉末衍射数据

IF 0.3 4区材料科学 Q4 MATERIALS SCIENCE, CHARACTERIZATION & TESTING

Powder Diffraction Pub Date : 2023-07-20 DOI:10.1017/s0885715623000258

Xiang Xu, Chong Liu, K.-C. Wu, Hongxiang Chen

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引用次数: 0

摘要

本文报道了钡-碘酸铜Ba2Cu(IO3)6的x射线粉末衍射数据、单胞参数和空间群[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，空间群P $\bar{1}$]。所有测量线都有索引，并与相应的空间组一致。本文还报道了Ba2Cu(IO3)6的单晶衍射数据[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，空间群P $\bar{1}$]。Ba2Cu(IO3)6的晶体结构以Ba2+阳离子分隔的[Cu(IO3)6]4−阴离子簇为特征。实验所得的粉末衍射图与模拟所得的单晶衍射图吻合较好。

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

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.

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来源期刊

$Powder Diffraction$

Powder Diffraction 工程技术-材料科学：表征与测试

CiteScore

0.90

自引率

0.00%

发文量

审稿时长

>12 weeks

期刊介绍： Powder Diffraction is a quarterly journal publishing articles, both experimental and theoretical, on the use of powder diffraction and related techniques for the characterization of crystalline materials. It is published by Cambridge University Press (CUP) for the International Centre for Diffraction Data (ICDD).