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Title: Structural study of the high-pressure antiferroelectric phase of CsH/sub 2/PO/sub 4/

Abstract

A three-dimensional neutron diffraction study has been carried out on the pressure-induced antiferroelectric phase of CsH/sub 2/PO/sub 4/. At 100.7/sup 0/K and a hydrostatic pressure of 3.6 kbar, the unit cell parameters are a = 15.625(9), b = 6.254(2), c = 4.886(1) A, ..beta.. = 108.08(3)/sup 0/ and Z = 4. Atomic parameters were determined using full-matrix least-squares methods which yield final agreement indices: R(F/sup 2/) = 0.0715, R/sub w/(F/sup 2/) = 0.0807 and S = 2.13. The structure is nearly consistent with the monoclinic space group P2/sub 1//a but refinement in P2/sub 1/ yields a slightly better fit. The structure is markedly different from those of the paraelectric and ferroelectric phases with large relative displacements (nearly 1 A) of Cs/sup +1/ and PO/sub 4//sup -3/ groups in the x-z plane. Hydrogens bonding in b-chains, which are disordered in the paraelectric phase, show antiferroelectric order.

Authors:
;
Publication Date:
Research Org.:
Montana State Univ., Bozeman (USA). Dept. of Physics; Brookhaven National Lab., Upton, NY (USA)
OSTI Identifier:
5424992
Report Number(s):
BNL-36634; CONF-850880-1
ON: DE85013309
DOE Contract Number:  
AC02-76CH00016
Resource Type:
Conference
Resource Relation:
Conference: 6. international meeting on ferroelectricity, Kobe, Japan, 12 Aug 1985
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ACID PHOSPHATES; PHASE TRANSFORMATIONS; ANTIFERROELECTRIC MATERIALS; CRYSTAL STRUCTURE; CESIUM PHOSPHATES; LATTICE PARAMETERS; NEUTRON DIFFRACTION; VERY HIGH PRESSURE; ALKALI METAL COMPOUNDS; CESIUM COMPOUNDS; COHERENT SCATTERING; DIELECTRIC MATERIALS; DIFFRACTION; MATERIALS; OXYGEN COMPOUNDS; PHOSPHATES; PHOSPHORUS COMPOUNDS; SCATTERING; 360602* - Other Materials- Structure & Phase Studies

Citation Formats

Schuele, P J, and Thomas, R. Structural study of the high-pressure antiferroelectric phase of CsH/sub 2/PO/sub 4/. United States: N. p., 1985. Web.
Schuele, P J, & Thomas, R. Structural study of the high-pressure antiferroelectric phase of CsH/sub 2/PO/sub 4/. United States.
Schuele, P J, and Thomas, R. Tue . "Structural study of the high-pressure antiferroelectric phase of CsH/sub 2/PO/sub 4/". United States. https://www.osti.gov/servlets/purl/5424992.
@article{osti_5424992,
title = {Structural study of the high-pressure antiferroelectric phase of CsH/sub 2/PO/sub 4/},
author = {Schuele, P J and Thomas, R},
abstractNote = {A three-dimensional neutron diffraction study has been carried out on the pressure-induced antiferroelectric phase of CsH/sub 2/PO/sub 4/. At 100.7/sup 0/K and a hydrostatic pressure of 3.6 kbar, the unit cell parameters are a = 15.625(9), b = 6.254(2), c = 4.886(1) A, ..beta.. = 108.08(3)/sup 0/ and Z = 4. Atomic parameters were determined using full-matrix least-squares methods which yield final agreement indices: R(F/sup 2/) = 0.0715, R/sub w/(F/sup 2/) = 0.0807 and S = 2.13. The structure is nearly consistent with the monoclinic space group P2/sub 1//a but refinement in P2/sub 1/ yields a slightly better fit. The structure is markedly different from those of the paraelectric and ferroelectric phases with large relative displacements (nearly 1 A) of Cs/sup +1/ and PO/sub 4//sup -3/ groups in the x-z plane. Hydrogens bonding in b-chains, which are disordered in the paraelectric phase, show antiferroelectric order.},
doi = {},
url = {https://www.osti.gov/biblio/5424992}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1985},
month = {1}
}

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