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Title: High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}

Abstract

The new titanium borate was synthesized under high-pressure/high-temperature conditions in a Walker-type multianvil apparatus at 7.5 GPa and 1350 deg. C. Ti{sub 5}B{sub 12}O{sub 26} is built up exclusively from corner-sharing BO{sub 4}-tetrahedra and shows a structural relation to the Zintl phase NaTl. Consisting of B{sub 12}O{sub 26}-clusters as fundamental building blocks, the structure of Ti{sub 5}B{sub 12}O{sub 26} can be described via two interpenetrating diamond structures as in NaTl, where each atom corresponds to one B{sub 12}O{sub 26}-cluster. The tetragonal titanium borate crystallizes with eight formula units in the space group I4{sub 1}/acd and exhibits lattice parameters of a=1121.1(2) pm and c=2211.5(4) pm. Ti{sub 5}B{sub 12}O{sub 26} is a mixed-valent compound with Ti{sup III} and Ti{sup IV} cations. The environment of the titanium cations, as well as charge distribution calculations, leads us to the assumption that Ti{sup III} and Ti{sup IV} are located on different crystallographic sites. - Graphical abstract: High-pressure/high-temperature synthesis (multianvil technique) led to the first mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}, which is exclusively built up from corner-sharing BO{sub 4}-tetrahedra, showing structural relations to the Zintl phase NaTl.

Authors:
 [1];  [1]
  1. Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universitaet Innsbruck, Innrain 52a, A-6020 Innsbruck (Austria)
Publication Date:
OSTI Identifier:
21212218
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 182; Journal Issue: 3; Other Information: DOI: 10.1016/j.jssc.2008.11.022; PII: S0022-4596(08)00603-8; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BORATES; CHARGE DISTRIBUTION; CRYSTALLOGRAPHY; LATTICE PARAMETERS; PRESSURE RANGE GIGA PA; SPACE GROUPS; SYNTHESIS; TEMPERATURE RANGE 1000-4000 K; TETRAGONAL LATTICES; TITANIUM COMPOUNDS

Citation Formats

Haberer, Almut, and Huppertz, Hubert. High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}. United States: N. p., 2009. Web. doi:10.1016/j.jssc.2008.11.022.
Haberer, Almut, & Huppertz, Hubert. High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}. United States. doi:10.1016/j.jssc.2008.11.022.
Haberer, Almut, and Huppertz, Hubert. Sun . "High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}". United States. doi:10.1016/j.jssc.2008.11.022.
@article{osti_21212218,
title = {High-pressure synthesis and crystal structure of the mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}},
author = {Haberer, Almut and Huppertz, Hubert},
abstractNote = {The new titanium borate was synthesized under high-pressure/high-temperature conditions in a Walker-type multianvil apparatus at 7.5 GPa and 1350 deg. C. Ti{sub 5}B{sub 12}O{sub 26} is built up exclusively from corner-sharing BO{sub 4}-tetrahedra and shows a structural relation to the Zintl phase NaTl. Consisting of B{sub 12}O{sub 26}-clusters as fundamental building blocks, the structure of Ti{sub 5}B{sub 12}O{sub 26} can be described via two interpenetrating diamond structures as in NaTl, where each atom corresponds to one B{sub 12}O{sub 26}-cluster. The tetragonal titanium borate crystallizes with eight formula units in the space group I4{sub 1}/acd and exhibits lattice parameters of a=1121.1(2) pm and c=2211.5(4) pm. Ti{sub 5}B{sub 12}O{sub 26} is a mixed-valent compound with Ti{sup III} and Ti{sup IV} cations. The environment of the titanium cations, as well as charge distribution calculations, leads us to the assumption that Ti{sup III} and Ti{sup IV} are located on different crystallographic sites. - Graphical abstract: High-pressure/high-temperature synthesis (multianvil technique) led to the first mixed-valent titanium borate Ti{sub 5}B{sub 12}O{sub 26}, which is exclusively built up from corner-sharing BO{sub 4}-tetrahedra, showing structural relations to the Zintl phase NaTl.},
doi = {10.1016/j.jssc.2008.11.022},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = 3,
volume = 182,
place = {United States},
year = {2009},
month = {3}
}