Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X-ray diffraction data

Dongmin Lee; Hyeri Bu; Dohwan Kim; Jooeun Hyoung; Seung Tae Hong

doi:10.1107/S2056989018003936

Crystal structure of calcium perchlorate anhydrate, Ca(ClO₄)₂, from laboratory powder X-ray diffraction data

Dongmin Lee, Hyeri Bu, Dohwan Kim, Jooeun Hyoung, Seung Tae Hong

Department of Energy and Science and Engineering

Daegu Gyeongbuk Institute of Science and Technology

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO 4)₂ ·xH₂ O] at 623K in air for 12h. It crystallizes in the orthorhombic space group Pbca and is isotypic with Ca(AlD₄)₂. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO₄^- tetrahedra and Ca²⁺ cations. The Ca²⁺ cation is coordinated by eight O atoms of eight symmetry-related ClO₄^- tetrahedra within a distorted square-antiprismatic environment.

Original language	English
Pages (from-to)	514-517
Number of pages	4
Journal	Acta Crystallographica Section E: Crystallographic Communications
Volume	74
DOIs	https://doi.org/10.1107/S2056989018003936
State	Published - 1 Apr 2018

Bibliographical note

Publisher Copyright:
© 2018 Lee et al.

Keywords

Ca(ClO)
calcium perchlorate anhydrate
crystal structure
isotypism
powder X-ray diffraction

Access to Document

10.1107/S2056989018003936

Cite this

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title = "Crystal structure of calcium perchlorate anhydrate, Ca(ClO4)2, from laboratory powder X-ray diffraction data",

abstract = "The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO 4)2 ·xH2 O] at 623K in air for 12h. It crystallizes in the orthorhombic space group Pbca and is isotypic with Ca(AlD4)2. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO4- tetrahedra and Ca2+ cations. The Ca2+ cation is coordinated by eight O atoms of eight symmetry-related ClO4- tetrahedra within a distorted square-antiprismatic environment.",

keywords = "Ca(ClO), calcium perchlorate anhydrate, crystal structure, isotypism, powder X-ray diffraction",

author = "Dongmin Lee and Hyeri Bu and Dohwan Kim and Jooeun Hyoung and Hong, {Seung Tae}",

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AU - Lee, Dongmin

AU - Bu, Hyeri

AU - Kim, Dohwan

AU - Hyoung, Jooeun

AU - Hong, Seung Tae

PY - 2018/4/1

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AB - The crystal structure of calcium perchlorate anhydrate was determined from laboratory X-ray powder diffraction data. The title compound was obtained by heating hydrated calcium perchlorate [Ca(ClO 4)2 ·xH2 O] at 623K in air for 12h. It crystallizes in the orthorhombic space group Pbca and is isotypic with Ca(AlD4)2. The asymmetric unit contains one Ca, two Cl and eight O sites, all on general sites (Wyckoff position 8c). The crystal structure consists of isolated ClO4- tetrahedra and Ca2+ cations. The Ca2+ cation is coordinated by eight O atoms of eight symmetry-related ClO4- tetrahedra within a distorted square-antiprismatic environment.

KW - Ca(ClO)

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KW - crystal structure

KW - isotypism

KW - powder X-ray diffraction

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