On the crystal structures of SrTeO3

Oleg A. Dityatiev; Petr S. Berdonosov; Valery A. Dolgikh; David W. Aldous; Philip Lightfoot

doi:10.1016/j.solidstatesciences.2006.03.003

On the crystal structures of SrTeO3

Oleg A. Dityatiev, Petr S. Berdonosov, Valery A. Dolgikh, David W. Aldous, Philip Lightfoot

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

Abstract

SrTeO3 has been studied by powder neutron diffraction (PND) experiments and by second harmonic generation (SHG) method at a series of temperatures between 20 and 560 degrees C. The SrTeO3 low temperature (22 degrees C) form was found (R-wp = 1.49%, chi(2) = 1.06) to crystallize in space group C2/c with the unit cell parameters a = 28.133(9) angstrom, b = 5.9044(15) angstrom, c = 28.418(6) angstrom, beta = 114.303(17)degrees. The Sr atoms are coordinated by six, seven or eight oxygen atoms. Each Te atom has a similar 'pyramidal' geometry, coordinated by three oxygen atoms having similar Te-O. bond lengths. The Te4+ lone-pair (E) plays an active stereochemical role. The Sr-O polyhedra form an openwork framework with 2 types of channels. Inside the channels the tellurium atoms are located. The TeO3E pyramids do not connect to each other; instead they share their oxygen atoms with Sr polyhedra. The discontinuous change of the SrTeO3 lattice parameters in the region 260-310 degrees C and abrupt growth of SHG signal in this temperature region correspond to the onset of the ferroelectric phase in a first-order phase transition. However from the diffraction data acquired at 410 degrees C no evidence of lowering of the symmetry was found. The structure model of the SrTeO3 high temperature (410 degrees C) modification is proposed in the same space group C2/c. The plausible reasons of the discrepancy between the PND and SHG results are discussed. (c) 2006 Elsevier SAS. All rights reserved.

Original language	English
Pages (from-to)	830-835
Number of pages	6
Journal	Solid State Sciences
Volume	8
DOIs	https://doi.org/10.1016/j.solidstatesciences.2006.03.003
Publication status	Published - Jul 2006

Keywords

strontium tellurite
PND
SHG
crystal structure
SINGLE-CRYSTALS
PHASE

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10.1016/j.solidstatesciences.2006.03.003

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title = "On the crystal structures of SrTeO3",

abstract = "SrTeO3 has been studied by powder neutron diffraction (PND) experiments and by second harmonic generation (SHG) method at a series of temperatures between 20 and 560 degrees C. The SrTeO3 low temperature (22 degrees C) form was found (R-wp = 1.49%, chi(2) = 1.06) to crystallize in space group C2/c with the unit cell parameters a = 28.133(9) angstrom, b = 5.9044(15) angstrom, c = 28.418(6) angstrom, beta = 114.303(17)degrees. The Sr atoms are coordinated by six, seven or eight oxygen atoms. Each Te atom has a similar 'pyramidal' geometry, coordinated by three oxygen atoms having similar Te-O. bond lengths. The Te4+ lone-pair (E) plays an active stereochemical role. The Sr-O polyhedra form an openwork framework with 2 types of channels. Inside the channels the tellurium atoms are located. The TeO3E pyramids do not connect to each other; instead they share their oxygen atoms with Sr polyhedra. The discontinuous change of the SrTeO3 lattice parameters in the region 260-310 degrees C and abrupt growth of SHG signal in this temperature region correspond to the onset of the ferroelectric phase in a first-order phase transition. However from the diffraction data acquired at 410 degrees C no evidence of lowering of the symmetry was found. The structure model of the SrTeO3 high temperature (410 degrees C) modification is proposed in the same space group C2/c. The plausible reasons of the discrepancy between the PND and SHG results are discussed. (c) 2006 Elsevier SAS. All rights reserved.",

keywords = "strontium tellurite, PND, SHG, crystal structure, SINGLE-CRYSTALS, PHASE",

author = "Dityatiev, {Oleg A.} and Berdonosov, {Petr S.} and Dolgikh, {Valery A.} and Aldous, {David W.} and Philip Lightfoot",

year = "2006",

month = jul,

doi = "10.1016/j.solidstatesciences.2006.03.003",

language = "English",

volume = "8",

pages = "830--835",

journal = "Solid State Sciences",

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TY - JOUR

T1 - On the crystal structures of SrTeO3

AU - Dityatiev, Oleg A.

AU - Berdonosov, Petr S.

AU - Dolgikh, Valery A.

AU - Aldous, David W.

AU - Lightfoot, Philip

PY - 2006/7

Y1 - 2006/7

N2 - SrTeO3 has been studied by powder neutron diffraction (PND) experiments and by second harmonic generation (SHG) method at a series of temperatures between 20 and 560 degrees C. The SrTeO3 low temperature (22 degrees C) form was found (R-wp = 1.49%, chi(2) = 1.06) to crystallize in space group C2/c with the unit cell parameters a = 28.133(9) angstrom, b = 5.9044(15) angstrom, c = 28.418(6) angstrom, beta = 114.303(17)degrees. The Sr atoms are coordinated by six, seven or eight oxygen atoms. Each Te atom has a similar 'pyramidal' geometry, coordinated by three oxygen atoms having similar Te-O. bond lengths. The Te4+ lone-pair (E) plays an active stereochemical role. The Sr-O polyhedra form an openwork framework with 2 types of channels. Inside the channels the tellurium atoms are located. The TeO3E pyramids do not connect to each other; instead they share their oxygen atoms with Sr polyhedra. The discontinuous change of the SrTeO3 lattice parameters in the region 260-310 degrees C and abrupt growth of SHG signal in this temperature region correspond to the onset of the ferroelectric phase in a first-order phase transition. However from the diffraction data acquired at 410 degrees C no evidence of lowering of the symmetry was found. The structure model of the SrTeO3 high temperature (410 degrees C) modification is proposed in the same space group C2/c. The plausible reasons of the discrepancy between the PND and SHG results are discussed. (c) 2006 Elsevier SAS. All rights reserved.

AB - SrTeO3 has been studied by powder neutron diffraction (PND) experiments and by second harmonic generation (SHG) method at a series of temperatures between 20 and 560 degrees C. The SrTeO3 low temperature (22 degrees C) form was found (R-wp = 1.49%, chi(2) = 1.06) to crystallize in space group C2/c with the unit cell parameters a = 28.133(9) angstrom, b = 5.9044(15) angstrom, c = 28.418(6) angstrom, beta = 114.303(17)degrees. The Sr atoms are coordinated by six, seven or eight oxygen atoms. Each Te atom has a similar 'pyramidal' geometry, coordinated by three oxygen atoms having similar Te-O. bond lengths. The Te4+ lone-pair (E) plays an active stereochemical role. The Sr-O polyhedra form an openwork framework with 2 types of channels. Inside the channels the tellurium atoms are located. The TeO3E pyramids do not connect to each other; instead they share their oxygen atoms with Sr polyhedra. The discontinuous change of the SrTeO3 lattice parameters in the region 260-310 degrees C and abrupt growth of SHG signal in this temperature region correspond to the onset of the ferroelectric phase in a first-order phase transition. However from the diffraction data acquired at 410 degrees C no evidence of lowering of the symmetry was found. The structure model of the SrTeO3 high temperature (410 degrees C) modification is proposed in the same space group C2/c. The plausible reasons of the discrepancy between the PND and SHG results are discussed. (c) 2006 Elsevier SAS. All rights reserved.

KW - strontium tellurite

KW - PND

KW - SHG

KW - crystal structure

KW - SINGLE-CRYSTALS

KW - PHASE

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U2 - 10.1016/j.solidstatesciences.2006.03.003

DO - 10.1016/j.solidstatesciences.2006.03.003

M3 - Article

SN - 1293-2558

VL - 8

SP - 830

EP - 835

JO - Solid State Sciences

JF - Solid State Sciences

ER -

On the crystal structures of SrTeO3

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Keywords

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