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Title: The crystal structure of a new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} from neutron powder diffraction data

Abstract

A new bismuth tellurium oxychloride was obtained by reaction of BiOCl and TeO{sub 2} in air. According to energy dispersive X-ray spectroscopy and neutron powder diffraction refinement the composition of the substance was determined as Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87}. The new compound crystallizes in the trigonal system space group R 3-bar (no. 148), Z=6, a=4.10793(4), c=31.1273(4) A, {chi} {sup 2}=3.20, wR {sub p}=0.0369. Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} has a new type of layered structure constructed by Bi-Te-O layers separated by chloride ions. The Te atoms in Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} show an unusual umbrella-like environment. A comparison with known related structures has been made. - Graphical abstract: A new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} has been synthesized. The compound has a new type of layered structure.

Authors:
 [1];  [2];  [3]
  1. Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation), E-mail: psberd@inorg.chem.msu.ru
  2. Department of Chemistry, Moscow State University, Leninskie Gory, Moscow 119992 (Russian Federation)
  3. EaStChem, School of Chemistry, St. Andrews University, St. Andrews KY16 9ST (United Kingdom)
Publication Date:
OSTI Identifier:
21015805
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 5; Other Information: DOI: 10.1016/j.jssc.2007.03.006; PII: S0022-4596(07)00103-X; Copyright (c) 2007 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BISMUTH COMPOUNDS; CHLORINE IONS; CRYSTAL STRUCTURE; LAYERS; NEUTRON DIFFRACTION; OXYCHLORIDES; SPACE GROUPS; TELLURIUM COMPOUNDS; TELLURIUM OXIDES; X-RAY SPECTROSCOPY

Citation Formats

Berdonosov, P.S., Dolgikh, V.A., and Lightfoot, P. The crystal structure of a new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} from neutron powder diffraction data. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2007.03.006.
Berdonosov, P.S., Dolgikh, V.A., & Lightfoot, P. The crystal structure of a new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} from neutron powder diffraction data. United States. doi:10.1016/j.jssc.2007.03.006.
Berdonosov, P.S., Dolgikh, V.A., and Lightfoot, P. Tue . "The crystal structure of a new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} from neutron powder diffraction data". United States. doi:10.1016/j.jssc.2007.03.006.
@article{osti_21015805,
title = {The crystal structure of a new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} from neutron powder diffraction data},
author = {Berdonosov, P.S. and Dolgikh, V.A. and Lightfoot, P.},
abstractNote = {A new bismuth tellurium oxychloride was obtained by reaction of BiOCl and TeO{sub 2} in air. According to energy dispersive X-ray spectroscopy and neutron powder diffraction refinement the composition of the substance was determined as Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87}. The new compound crystallizes in the trigonal system space group R 3-bar (no. 148), Z=6, a=4.10793(4), c=31.1273(4) A, {chi} {sup 2}=3.20, wR {sub p}=0.0369. Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} has a new type of layered structure constructed by Bi-Te-O layers separated by chloride ions. The Te atoms in Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} show an unusual umbrella-like environment. A comparison with known related structures has been made. - Graphical abstract: A new bismuth tellurium oxychloride Bi{sub 0.87}Te{sub 2}O{sub 4.9}Cl{sub 0.87} has been synthesized. The compound has a new type of layered structure.},
doi = {10.1016/j.jssc.2007.03.006},
journal = {Journal of Solid State Chemistry},
number = 5,
volume = 180,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2007},
month = {Tue May 15 00:00:00 EDT 2007}
}
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  • The crystal structures of K{sub 2}S{sub 2}O{sub 7}, KNaS{sub 2}O{sub 7} and Na{sub 2}S{sub 2}O{sub 7} have been solved and/or refined from X-ray synchrotron powder diffraction data and conventional single-crystal data. K{sub 2}S{sub 2}O{sub 7}: From powder diffraction data, monoclinic C2/c, Z=4, a=12.3653(2), b=7.3122(1), c=7.2868(1)A, {beta}=93.0792(7){sup o}, R{sub Bragg}=0.096. KNaS{sub 2}O{sub 7}: From powder diffraction data; triclinic P1-bar , Z=2, a=5.90476(9), b=7.2008(1), c=7.4188(1)A, {alpha}=101.7074(9), {beta}=90.6960(7), {gamma}=94.2403(9){sup o}, R{sub Bragg}=0.075. Na{sub 2}S{sub 2}O{sub 7}: From single-crystal data; triclinic P1-bar , Z=2, a=6.7702(9), b=6.7975(10), c=6.7292(9)A, {alpha}=116.779(2), {beta}=96.089(3), {gamma}=84.000(3){sup o}, R{sub F}=0.033. The disulphate anions are essentially eclipsed. All three structures can bemore » described as dichromate-like, where the alkali cations coordinate oxygens of the isolated disulphate groups in three-dimensional networks. The K-O and Na-O coordinations were determined from electron density topology and coordination geometry. The three structures have a cation-disulphate chain in common. In K{sub 2}S{sub 2}O{sub 7} and Na{sub 2}S{sub 2}O{sub 7} the neighbouring chains are antiparallel, while in KNaS{sub 2}O{sub 7} the chains are parallel. The differences between the K{sub 2}S{sub 2}O{sub 7} and Na{sub 2}S{sub 2}O{sub 7} structures, with double-, respectively single-sided chain connections and straight, respectively, corrugated structural layers can be understood in terms of the differences in size and coordinating ability of the cations.« less
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