The two solid phases of chlorodifluoromethane

O. S. Binbrek; B. H. Torrie; R. Von Dreele; B. M. Powelle

doi:10.1080/002689797172859

The two solid phases of chlorodifluoromethane

O. S. Binbrek
, B. H. Torrie
, R. Von Dreele
, B. M. Powelle

King Fahd University of Petroleum & Minerals

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

8 Scopus citations

Abstract

The crystal structure of the two phases of chlorodifluoromethane (CHClF₂) were determined at 70 K and 10 K using Rietveld refinement of neutron powder profiles. The upper phase is tetragonal P4₂/n (C₄⁴_h) with eight molecules in the unit cell occupying general positions. The lattice constants are a = 10•3711(1) Å and c = 5•5915(2) Å. The lower phase is monoclinic P112/n (C₂⁴_h) with eight molecules in the unit cell with dimensions a = 10•1106(2), b = 10•4830(2), c = 5•5868(2) Å and γ = 90•319(2)°. The asymmetric unit has two molecules in general positions. The phase transition is of a displacive type but there are no large changes in the molecular positions or orientations at the transition.

Original language	English
Pages (from-to)	49-54
Number of pages	6
Journal	Molecular Physics
Volume	90
Issue number	1
DOIs	https://doi.org/10.1080/002689797172859
State	Published - 1 Jan 1997

Bibliographical note

Funding Information:
O.S.B. wishes to thank the King Fahd University of Petroleum and M inerals for their support. B.H.T. wishes to thank the Neutron Scattering Group at the Los Alamos Neutron Scattering Centre, Los Alamos National Laboratory, for their hospitality during an extended visit. This work was supported by a grant from the Natural Sciences and Engineering Research Council of Canada.

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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10.1080/002689797172859

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title = "The two solid phases of chlorodifluoromethane",

abstract = "The crystal structure of the two phases of chlorodifluoromethane (CHClF2) were determined at 70 K and 10 K using Rietveld refinement of neutron powder profiles. The upper phase is tetragonal P42/n (C44h) with eight molecules in the unit cell occupying general positions. The lattice constants are a = 10•3711(1) {\AA} and c = 5•5915(2) {\AA}. The lower phase is monoclinic P112/n (C24h) with eight molecules in the unit cell with dimensions a = 10•1106(2), b = 10•4830(2), c = 5•5868(2) {\AA} and γ = 90•319(2)°. The asymmetric unit has two molecules in general positions. The phase transition is of a displacive type but there are no large changes in the molecular positions or orientations at the transition.",

author = "Binbrek, \{O. S.\} and Torrie, \{B. H.\} and \{Von Dreele\}, R. and Powelle, \{B. M.\}",

note = "Funding Information: O.S.B. wishes to thank the King Fahd University of Petroleum and M inerals for their support. B.H.T. wishes to thank the Neutron Scattering Group at the Los Alamos Neutron Scattering Centre, Los Alamos National Laboratory, for their hospitality during an extended visit. This work was supported by a grant from the Natural Sciences and Engineering Research Council of Canada.",

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AU - Torrie, B. H.

AU - Von Dreele, R.

AU - Powelle, B. M.

N1 - Funding Information: O.S.B. wishes to thank the King Fahd University of Petroleum and M inerals for their support. B.H.T. wishes to thank the Neutron Scattering Group at the Los Alamos Neutron Scattering Centre, Los Alamos National Laboratory, for their hospitality during an extended visit. This work was supported by a grant from the Natural Sciences and Engineering Research Council of Canada.

PY - 1997/1/1

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N2 - The crystal structure of the two phases of chlorodifluoromethane (CHClF2) were determined at 70 K and 10 K using Rietveld refinement of neutron powder profiles. The upper phase is tetragonal P42/n (C44h) with eight molecules in the unit cell occupying general positions. The lattice constants are a = 10•3711(1) Å and c = 5•5915(2) Å. The lower phase is monoclinic P112/n (C24h) with eight molecules in the unit cell with dimensions a = 10•1106(2), b = 10•4830(2), c = 5•5868(2) Å and γ = 90•319(2)°. The asymmetric unit has two molecules in general positions. The phase transition is of a displacive type but there are no large changes in the molecular positions or orientations at the transition.

AB - The crystal structure of the two phases of chlorodifluoromethane (CHClF2) were determined at 70 K and 10 K using Rietveld refinement of neutron powder profiles. The upper phase is tetragonal P42/n (C44h) with eight molecules in the unit cell occupying general positions. The lattice constants are a = 10•3711(1) Å and c = 5•5915(2) Å. The lower phase is monoclinic P112/n (C24h) with eight molecules in the unit cell with dimensions a = 10•1106(2), b = 10•4830(2), c = 5•5868(2) Å and γ = 90•319(2)°. The asymmetric unit has two molecules in general positions. The phase transition is of a displacive type but there are no large changes in the molecular positions or orientations at the transition.

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EP - 54

JO - Molecular Physics

JF - Molecular Physics

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ER -

The two solid phases of chlorodifluoromethane

Abstract

Bibliographical note

ASJC Scopus subject areas

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