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一种混合碱土钼酸钙矿CaSrMoO的合成与晶体结构

Synthesis and crystal structure of a mixed alkaline-earth powellite, CaSrMoO.

作者信息

Kissinger Ryan M, Chong Saehwa, Riley Brian J, Crum Jarrod V

机构信息

Pacific Northwest National Laboratory, Richland, WA 99354, USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2020 Jan 3;76(Pt 2):121-124. doi: 10.1107/S2056989019017092. eCollection 2020 Feb 1.

DOI:10.1107/S2056989019017092
PMID:32071732
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7001819/
Abstract

A mixed alkaline-earth powellite, CaSrMoO (calcium strontium molybdate), was synthesized by a flux method and its crystal structure was solved using single-crystal X-ray diffraction (SC-XRD) data. The compound crystallized in the 4/ space group as with a typical CaMoO powellite, but with larger unit-cell parameters and unit-cell volume as a result of the partial incorporation of larger Sr cations into the Ca sites within the crystal. The unit cell and volume were well fitted with the trendline calculated from literature values, and the powder X-ray diffraction (P-XRD) pattern of the ground crystal is in good agreement with the calculated pattern from the solved structure.

摘要

通过助熔剂法合成了一种混合碱土钼酸钙锶(CaSrMoO),并利用单晶X射线衍射(SC-XRD)数据解析了其晶体结构。该化合物与典型的钼酸钙(CaMoO)一样结晶于(4/)空间群,但由于较大的Sr阳离子部分掺入晶体中的Ca位点,其晶胞参数和晶胞体积更大。晶胞和体积与根据文献值计算的趋势线拟合良好,研磨后的晶体的粉末X射线衍射(P-XRD)图谱与根据解析结构计算的图谱吻合良好。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/867411884d4c/e-76-00121-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/930597847e86/e-76-00121-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/e252b7997e1e/e-76-00121-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/867411884d4c/e-76-00121-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/930597847e86/e-76-00121-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/e252b7997e1e/e-76-00121-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/bc1c/7001819/867411884d4c/e-76-00121-fig3.jpg

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本文引用的文献

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Inorg Chem. 2014 Jan 21;53(2):1056-61. doi: 10.1021/ic4025348. Epub 2013 Nov 22.
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