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Title: High-pressure synthesis, crystal structure, and properties of the first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5}

Abstract

The first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5} was synthesized under high-pressure and high-temperature conditions in a Walker-type multianvil apparatus at 7.5 GPa and 1100 deg. C. The monoclinic hafnium-diborate crystallizes with four formula units in the space group P2{sub 1}/c with lattice parameters a=438.48(9), b=690.60(2), c=897.60(2) pm, and {beta}=90.76(3){sup o}. Due to the fact that high-pressure conditions favour the fourfold-coordination of boron, a structure is observed, which is built up exclusively from layers of BO{sub 4} tetrahedra; between the layers, the hafnium ions are coordinated square-antiprismatically by eight oxygen atoms. A structural comparison of {beta}-HfB{sub 2}O{sub 5} with minerals of the gadolinite-homilite-hingganite-datolite family proved this compound to be the simplest structural variant in this structure type, known so far. Along with a structural discussion, temperature-programmed X-ray powder diffraction data are shown, demonstrating the metastable character of this compound. - Graphical abstract: Synthesis of {beta}-HfB{sub 2}O{sub 5} via the multianvil high-pressure/high-temperature technique, representing the first ternary compound in the borate system Hf-B-O.

Authors:
 [1];  [2]
  1. Department Chemie und Biochemie, Ludwig-Maximilians-Universitaet Muenchen, Butenandtstrasse 5-13, D-81377 Munich (Germany)
  2. Department Chemie und Biochemie, Ludwig-Maximilians-Universitaet Muenchen, Butenandtstrasse 5-13, D-81377 Munich (Germany), E-mail: huh@cup.uni-muenchen.de
Publication Date:
OSTI Identifier:
21015705
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 180; Journal Issue: 2; Other Information: DOI: 10.1016/j.jssc.2006.12.005; PII: S0022-4596(06)00637-2; Copyright (c) 2006 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; BORATES; HAFNIUM COMPOUNDS; HAFNIUM IONS; LATTICE PARAMETERS; LAYERS; MONOCLINIC LATTICES; PRESSURE RANGE GIGA PA; SPACE GROUPS; SYNTHESIS; TEMPERATURE RANGE 1000-4000 K; X-RAY DIFFRACTION

Citation Formats

Knyrim, Johanna S., and Huppertz, Hubert. High-pressure synthesis, crystal structure, and properties of the first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5}. United States: N. p., 2007. Web. doi:10.1016/j.jssc.2006.12.005.
Knyrim, Johanna S., & Huppertz, Hubert. High-pressure synthesis, crystal structure, and properties of the first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5}. United States. doi:10.1016/j.jssc.2006.12.005.
Knyrim, Johanna S., and Huppertz, Hubert. Thu . "High-pressure synthesis, crystal structure, and properties of the first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5}". United States. doi:10.1016/j.jssc.2006.12.005.
@article{osti_21015705,
title = {High-pressure synthesis, crystal structure, and properties of the first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5}},
author = {Knyrim, Johanna S. and Huppertz, Hubert},
abstractNote = {The first ternary hafniumborate {beta}-HfB{sub 2}O{sub 5} was synthesized under high-pressure and high-temperature conditions in a Walker-type multianvil apparatus at 7.5 GPa and 1100 deg. C. The monoclinic hafnium-diborate crystallizes with four formula units in the space group P2{sub 1}/c with lattice parameters a=438.48(9), b=690.60(2), c=897.60(2) pm, and {beta}=90.76(3){sup o}. Due to the fact that high-pressure conditions favour the fourfold-coordination of boron, a structure is observed, which is built up exclusively from layers of BO{sub 4} tetrahedra; between the layers, the hafnium ions are coordinated square-antiprismatically by eight oxygen atoms. A structural comparison of {beta}-HfB{sub 2}O{sub 5} with minerals of the gadolinite-homilite-hingganite-datolite family proved this compound to be the simplest structural variant in this structure type, known so far. Along with a structural discussion, temperature-programmed X-ray powder diffraction data are shown, demonstrating the metastable character of this compound. - Graphical abstract: Synthesis of {beta}-HfB{sub 2}O{sub 5} via the multianvil high-pressure/high-temperature technique, representing the first ternary compound in the borate system Hf-B-O.},
doi = {10.1016/j.jssc.2006.12.005},
journal = {Journal of Solid State Chemistry},
number = 2,
volume = 180,
place = {United States},
year = {Thu Feb 15 00:00:00 EST 2007},
month = {Thu Feb 15 00:00:00 EST 2007}
}