Published 2020 | Version v1
Journal article Metadata-only

K2.64Cs0.36SiF7: a new fluorosilicate with a trans-perovskite structure

Creators

  • 1. Key Laboratory for Green Processing of Chemical Engineering of Xinjiang Bingtuan, School of Chemistry and Chemical Engineering, Shihezi University, Shihezi 832003, P. R. (China)
  • 2. School of Physics Science and Technology, Xinjiang University, Urumqi, Xinjiang 830046, P. R. (China)

Description

A new oxygen-free fluorosilicate, namely K2.64Cs0.36SiF7 was synthesized via a high-temperature method. It crystallizes in a tetragonal system with the P4/mbm space group. The cell parameters of K2.64Cs0.36SiF7 are found to be a = 7.768(4) Angstroms and c = 5.560(6) Angstroms. Single crystal X-ray diffraction shows that it has a trans-perovskite structure built by the [SiF6] and [FK4(K0.64/Cs0.36)2] octahedra. By a structural analysis, the disorder place and the disorder ratio of K2.64Cs0.36SiF7 is different from other M3SiF7 (M = K+, Rb+, Cs+, and NH4+) compounds. The ultraviolet cut-off edge of K2.64Cs0.36SiF7 is shorter than 190 nm, and the band gap is 6.0 eV. Structure-property relationships were further illuminated via the first-principles calculation methods. (authors)

Availability note (English)

Available from doi: https://doi.org/10.1039/C9NJ06037E

Additional details

Identifiers

DOI
10.1039/C9NJ06037E;

Publishing Information

Journal Title
New Journal of Chemistry
Journal Volume
44
Journal Issue
no.7
Journal Page Range
p. 2727-2732
ISSN
1144-0546

INIS

Country of Publication
France
Country of Input or Organization
France
INIS RN
51029197
Subject category
S36: MATERIALS SCIENCE;
Descriptors DEI
CESIUM FLUORIDES; CESIUM SILICATES; CHEMICAL PREPARATION; CRYSTAL STRUCTURE; FLUORINE COMPOUNDS
Descriptors DEC
ALKALI METAL COMPOUNDS; CESIUM COMPOUNDS; CESIUM HALIDES; FLUORIDES; FLUORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; OXYGEN COMPOUNDS; SILICATES; SILICON COMPOUNDS; SYNTHESIS

Optional Information

Notes
53 refs.