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Title: Synthesis, crystal structure and thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} borosilicate

Abstract

Single crystals of Sr{sub 3}B{sub 2}SiO{sub 8} were obtained by solid-state reaction of stoichiometric mixture at 1200 {sup o}C. The crystal structure of the compound has been solved by direct methods and refined to R1=0.064 (wR=0.133). It is orthorhombic, Pnma, a=12.361(4), b=3.927(1), c=5.419(1) A, V=263.05(11) A{sup 3}. The structure contains zigzag pseudo-chains running along the b axis and built up from corner sharing (Si,B)-O polyhedra. Boron and silicon are statistically distributed over one site with their coordination strongly disordered. Sr atoms are located between the chains providing three-dimensional linkage of the structure. The formation of Sr{sub 3}B{sub 2}SiO{sub 8} has been studied using annealing series in air at 900-1200 {sup o}C. According powder XRD, the probe contains pure Sr{sub 3}B{sub 2}SiO{sub 8} over 1100 {sup o}C. The compound is not stable below 900 {sup o}C. In the pseudobinary Sr{sub 2}B{sub 2}O{sub 5}-Sr{sub 3}B{sub 2}SiO{sub 8} system a new series of solid solutions Sr{sub 3-x}B{sub 2}Si{sub 1-x}O{sub 8-3x} (x=0-0.9) have been crystallized from melt. The thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} was investigated using powder high-temperature X-ray diffraction (HTXRD) in the temperature range 20-900 {sup o}C. The anisotropic character of thermal expansion has been observed: {alpha}{sub a}= -1.3, {alpha}{sub b}=23.5,more » {alpha}{sub c}=13.9, and {alpha}{sub V}=36.1x10{sup -6} {sup o}C{sup -1} (25 {sup o}C); {alpha}{sub a}= -1.3, {alpha}{sub b}=23.2, {alpha}{sub c}=5.2, and {alpha}{sub V}=27.1x10{sup -6} {sup o}C{sup -1} (650 {sup o}C). Maximal thermal expansion of the structure along of the chain direction [0 1 0] is caused by the partial straightening of chain zigzag. Hinge mechanism of thermal expansion is discussed. - Graphical abstract: A fragment of Sr{sub 3}B{sub 2}SiO{sub 8} structure showing isolated B,Si-O pseudo-chain and Sr atom ellipsoids, comparing with pole figure of thermal expansion coefficients.« less

Authors:
 [1];  [2];  [1];  [2]
  1. Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, 199034 St. Petersburg (Russian Federation)
  2. Department of Crystallography, St. Petersburg State University, University Emb. 7/9, 199034 St. Petersburg (Russian Federation)
Publication Date:
OSTI Identifier:
21421480
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 183; Journal Issue: 10; Other Information: DOI: 10.1016/j.jssc.2010.07.029; PII: S0022-4596(10)00311-7; Copyright (c) 2010 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ANISOTROPY; ANNEALING; BORON SILICATES; MONOCRYSTALS; ORTHORHOMBIC LATTICES; SOLID SOLUTIONS; STOICHIOMETRY; STRONTIUM COMPOUNDS; TEMPERATURE RANGE 0273-0400 K; TEMPERATURE RANGE 0400-1000 K; TEMPERATURE RANGE 1000-4000 K; THERMAL EXPANSION; X-RAY DIFFRACTION; ALKALINE EARTH METAL COMPOUNDS; BORON COMPOUNDS; COHERENT SCATTERING; CRYSTAL LATTICES; CRYSTAL STRUCTURE; CRYSTALS; DIFFRACTION; DISPERSIONS; EXPANSION; HEAT TREATMENTS; HOMOGENEOUS MIXTURES; MIXTURES; OXYGEN COMPOUNDS; SCATTERING; SILICATES; SILICON COMPOUNDS; SOLUTIONS; TEMPERATURE RANGE

Citation Formats

Krzhizhanovskaya, M.G., E-mail: krzhizhanovskaya@mail.r, Bubnova, R S, Krivovichev, S V, Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, 199034 St. Petersburg, Belousova, O L, and Filatov, S K. Synthesis, crystal structure and thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} borosilicate. United States: N. p., 2010. Web. doi:10.1016/j.jssc.2010.07.029.
Krzhizhanovskaya, M.G., E-mail: krzhizhanovskaya@mail.r, Bubnova, R S, Krivovichev, S V, Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, 199034 St. Petersburg, Belousova, O L, & Filatov, S K. Synthesis, crystal structure and thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} borosilicate. United States. doi:10.1016/j.jssc.2010.07.029.
Krzhizhanovskaya, M.G., E-mail: krzhizhanovskaya@mail.r, Bubnova, R S, Krivovichev, S V, Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, 199034 St. Petersburg, Belousova, O L, and Filatov, S K. Fri . "Synthesis, crystal structure and thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} borosilicate". United States. doi:10.1016/j.jssc.2010.07.029.
@article{osti_21421480,
title = {Synthesis, crystal structure and thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} borosilicate},
author = {Krzhizhanovskaya, M.G., E-mail: krzhizhanovskaya@mail.r and Bubnova, R S and Krivovichev, S V and Grebenshchikov Institute of Silicate Chemistry, Russian Academy of Sciences, Makarov Emb. 2, 199034 St. Petersburg and Belousova, O L and Filatov, S K},
abstractNote = {Single crystals of Sr{sub 3}B{sub 2}SiO{sub 8} were obtained by solid-state reaction of stoichiometric mixture at 1200 {sup o}C. The crystal structure of the compound has been solved by direct methods and refined to R1=0.064 (wR=0.133). It is orthorhombic, Pnma, a=12.361(4), b=3.927(1), c=5.419(1) A, V=263.05(11) A{sup 3}. The structure contains zigzag pseudo-chains running along the b axis and built up from corner sharing (Si,B)-O polyhedra. Boron and silicon are statistically distributed over one site with their coordination strongly disordered. Sr atoms are located between the chains providing three-dimensional linkage of the structure. The formation of Sr{sub 3}B{sub 2}SiO{sub 8} has been studied using annealing series in air at 900-1200 {sup o}C. According powder XRD, the probe contains pure Sr{sub 3}B{sub 2}SiO{sub 8} over 1100 {sup o}C. The compound is not stable below 900 {sup o}C. In the pseudobinary Sr{sub 2}B{sub 2}O{sub 5}-Sr{sub 3}B{sub 2}SiO{sub 8} system a new series of solid solutions Sr{sub 3-x}B{sub 2}Si{sub 1-x}O{sub 8-3x} (x=0-0.9) have been crystallized from melt. The thermal behavior of Sr{sub 3}B{sub 2}SiO{sub 8} was investigated using powder high-temperature X-ray diffraction (HTXRD) in the temperature range 20-900 {sup o}C. The anisotropic character of thermal expansion has been observed: {alpha}{sub a}= -1.3, {alpha}{sub b}=23.5, {alpha}{sub c}=13.9, and {alpha}{sub V}=36.1x10{sup -6} {sup o}C{sup -1} (25 {sup o}C); {alpha}{sub a}= -1.3, {alpha}{sub b}=23.2, {alpha}{sub c}=5.2, and {alpha}{sub V}=27.1x10{sup -6} {sup o}C{sup -1} (650 {sup o}C). Maximal thermal expansion of the structure along of the chain direction [0 1 0] is caused by the partial straightening of chain zigzag. Hinge mechanism of thermal expansion is discussed. - Graphical abstract: A fragment of Sr{sub 3}B{sub 2}SiO{sub 8} structure showing isolated B,Si-O pseudo-chain and Sr atom ellipsoids, comparing with pole figure of thermal expansion coefficients.},
doi = {10.1016/j.jssc.2010.07.029},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 10,
volume = 183,
place = {United States},
year = {2010},
month = {10}
}