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Synthesis, crystal structure, and X-ray diffraction data of lithium m-phenylenediamine sulfate Li2(C6H10N2)(SO4)2

Published online by Cambridge University Press:  13 April 2021

Junyan Zhou Open the ORCID record for Junyan Zhou [Opens in a new window] ,
Congcong Chai ,
Munan Hao  and
Xin Zhong
Junyan Zhou*
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing100190, China School of Physical Sciences, University of Chinese Academy of Sciences, Beijing101408, China
Congcong Chai
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing100190, China College of Materials Science and Opto-Electronic Technology, University of Chinese Academy of Sciences, Beijing101408, China
Munan Hao
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing100190, China School of Physical Sciences, University of Chinese Academy of Sciences, Beijing101408, China
Xin Zhong
Affiliation:
Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing100190, China
*
a)Author to whom correspondence should be addressed. Electronic mail: 348612272@qq.com
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Abstract

A new organic–inorganic hybrid lithium m-phenylenediamine sulfate (LPS), Li2(C6H10N2)(SO4)2, was synthesized under aqueous solution conditions. The X-ray powder diffraction study determined that the title compound crystallized in a monoclinic system at 300 K, with unit-cell parameters a = 7.8689(6) Å, b = 6.6353(5) Å, c = 11.8322(10) Å, β = 109.385(3) °, V = 582.77(8) Å3. Indexing of the diffraction patterns collected from 100 to 600 K reveals that LPS has no structural phase transition within the measured temperature range, and the volume expansion coefficient is approximately 2.79 × 10−5 K−1. The crystal structure was solved based on the single-crystal diffraction data with space group P21/m. Lithium and SO42− are found to form quasi-two-dimensional anti-fluorite [LiSO4] layers stacking along the c-axis, with m-phenylenediamine molecules inserted in the anti-fluorite layers and forming hydrogen bonds to the SO42−. This explains a moderate anisotropic expansion in LPS.

Keywords

metal-organic frameworksanti-fluorite layersX-ray diffraction
Type
New Diffraction Data
Information
Powder Diffraction , Volume 36 , Issue 2 , June 2021 , pp. 129 - 133
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Copyright
Copyright © The Author(s), 2021. Published by Cambridge University Press on behalf of International Centre for Diffraction Data

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