Structural analysis of molten Cs2So4

Michihiro Miyake, Takashi Suzuki, Hideki Morikawa, Hideo Ohno, Kazuo Furukawa

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

The structure of molten Cs2SO4 has been investigated using the radial distribution function based on X-ray scattered intensity data collected at ca. 1100°C and has been analysed by the correlation method. The SO4 tetrahedron which exists in the crystalline state of Cs2SO4 has been shown to be preserved in the molten state. The most likely model for the short-range arrangement is that ca. 7/8 of the Cs atoms occupy the corner-sharing sites with an average Cs - O distance of 3.07 Å and the others occupy the face-sharing sites with an average Cs - O distance of 3.48 Å. The most likely model for the long-range arrangement within 10 Å is simulated by CaF2-type packing where the Ca and F atoms are replaced by the SO4 tetrahedron and the Cs atom, respectively. One Cs2SO4 unit is surrounded by ca. 18 Cs2SO4 units with an average inter-unit distance of 7.56 Å. The structure of molten Cs2SO4 has been discussed in relation to those of molten M2SO4 (M = Li, Na, K and Ag).

Original languageEnglish
Pages (from-to)2997-3006
Number of pages10
JournalJournal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases
Volume79
Issue number12
DOIs
Publication statusPublished - 1983
Externally publishedYes

Fingerprint

structural analysis
Structural analysis
Molten materials
tetrahedrons
Atoms
atoms
radial distribution
Correlation methods
distribution functions
Distribution functions
Crystalline materials
X rays
x rays

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

Structural analysis of molten Cs2So4. / Miyake, Michihiro; Suzuki, Takashi; Morikawa, Hideki; Ohno, Hideo; Furukawa, Kazuo.

In: Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases, Vol. 79, No. 12, 1983, p. 2997-3006.

Research output: Contribution to journalArticle

Miyake, Michihiro ; Suzuki, Takashi ; Morikawa, Hideki ; Ohno, Hideo ; Furukawa, Kazuo. / Structural analysis of molten Cs2So4. In: Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 1983 ; Vol. 79, No. 12. pp. 2997-3006.
@article{67ca6dd59b1840c7acdf106ac7b5bd33,
title = "Structural analysis of molten Cs2So4",
abstract = "The structure of molten Cs2SO4 has been investigated using the radial distribution function based on X-ray scattered intensity data collected at ca. 1100°C and has been analysed by the correlation method. The SO4 tetrahedron which exists in the crystalline state of Cs2SO4 has been shown to be preserved in the molten state. The most likely model for the short-range arrangement is that ca. 7/8 of the Cs atoms occupy the corner-sharing sites with an average Cs - O distance of 3.07 {\AA} and the others occupy the face-sharing sites with an average Cs - O distance of 3.48 {\AA}. The most likely model for the long-range arrangement within 10 {\AA} is simulated by CaF2-type packing where the Ca and F atoms are replaced by the SO4 tetrahedron and the Cs atom, respectively. One Cs2SO4 unit is surrounded by ca. 18 Cs2SO4 units with an average inter-unit distance of 7.56 {\AA}. The structure of molten Cs2SO4 has been discussed in relation to those of molten M2SO4 (M = Li, Na, K and Ag).",
author = "Michihiro Miyake and Takashi Suzuki and Hideki Morikawa and Hideo Ohno and Kazuo Furukawa",
year = "1983",
doi = "10.1039/F19837902997",
language = "English",
volume = "79",
pages = "2997--3006",
journal = "Physical Chemistry Chemical Physics",
issn = "1463-9076",
publisher = "Royal Society of Chemistry",
number = "12",

}

TY - JOUR

T1 - Structural analysis of molten Cs2So4

AU - Miyake, Michihiro

AU - Suzuki, Takashi

AU - Morikawa, Hideki

AU - Ohno, Hideo

AU - Furukawa, Kazuo

PY - 1983

Y1 - 1983

N2 - The structure of molten Cs2SO4 has been investigated using the radial distribution function based on X-ray scattered intensity data collected at ca. 1100°C and has been analysed by the correlation method. The SO4 tetrahedron which exists in the crystalline state of Cs2SO4 has been shown to be preserved in the molten state. The most likely model for the short-range arrangement is that ca. 7/8 of the Cs atoms occupy the corner-sharing sites with an average Cs - O distance of 3.07 Å and the others occupy the face-sharing sites with an average Cs - O distance of 3.48 Å. The most likely model for the long-range arrangement within 10 Å is simulated by CaF2-type packing where the Ca and F atoms are replaced by the SO4 tetrahedron and the Cs atom, respectively. One Cs2SO4 unit is surrounded by ca. 18 Cs2SO4 units with an average inter-unit distance of 7.56 Å. The structure of molten Cs2SO4 has been discussed in relation to those of molten M2SO4 (M = Li, Na, K and Ag).

AB - The structure of molten Cs2SO4 has been investigated using the radial distribution function based on X-ray scattered intensity data collected at ca. 1100°C and has been analysed by the correlation method. The SO4 tetrahedron which exists in the crystalline state of Cs2SO4 has been shown to be preserved in the molten state. The most likely model for the short-range arrangement is that ca. 7/8 of the Cs atoms occupy the corner-sharing sites with an average Cs - O distance of 3.07 Å and the others occupy the face-sharing sites with an average Cs - O distance of 3.48 Å. The most likely model for the long-range arrangement within 10 Å is simulated by CaF2-type packing where the Ca and F atoms are replaced by the SO4 tetrahedron and the Cs atom, respectively. One Cs2SO4 unit is surrounded by ca. 18 Cs2SO4 units with an average inter-unit distance of 7.56 Å. The structure of molten Cs2SO4 has been discussed in relation to those of molten M2SO4 (M = Li, Na, K and Ag).

UR - http://www.scopus.com/inward/record.url?scp=34247323895&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34247323895&partnerID=8YFLogxK

U2 - 10.1039/F19837902997

DO - 10.1039/F19837902997

M3 - Article

AN - SCOPUS:34247323895

VL - 79

SP - 2997

EP - 3006

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 12

ER -