High-pressure synthesis and crystal structure of the lithium borate HP-LiB{sub 3}O{sub 5}

Journal Article · Thu Sep 15 00:00:00 EDT 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.07.011· OSTI ID:21580268

Neumair, Stephanie C; Vanicek, Stefan ^[1]; Kaindl, Reinhard; Toebbens, Daniel M ^[2]; Wurst, Klaus ^[1]; Huppertz, Hubert ^[1]

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1. Institut fuer Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universitaet Innsbruck, Innrain 52a, A-6020 Innsbruck (Austria)
2. Institut fuer Mineralogie und Petrographie, Leopold-Franzens-Universitaet Innsbruck, Innrain 52, A-6020 Innsbruck (Austria)

The new lithium borate HP-LiB{sub 3}O{sub 5} was synthesized under high-pressure/high-temperature conditions of 6 GPa and 1050 deg. C in a multianvil press with a Walker-type module. The compound crystallizes in the space group Pnma (no. 62) with the lattice parameters a=829.7(2), b=759.6(2), and c=1726.8(4) pm (Z=16). The high-pressure compound HP-LiB{sub 3}O{sub 5} is built up from a three-dimensional network of BO{sub 4} tetrahedra and BO{sub 3} groups, which incorporates Li{sup +} ions in channels along the b-axis. Band assignments of measured IR- and Raman spectra were done via quantum-mechanical calculations. Additionally, the thermal behavior of HP-LiB{sub 3}O{sub 5} was investigated. - Graphical abstract: The new high-pressure compound HP-LiB{sub 3}O{sub 5} is built up from a three-dimensional network of BO4 tetrahedra and BO{sub 3} groups, which incorporates Li{sup +} ions in channels along the b-axis. In this paper, the synthesis, the crystal structure, and the properties of HP-LiB{sub 3}O{sub 5} are described. Highlights: > Synthesis of a new lithium borate with the composition HP-LiB{sub 3}O{sub 5} at high pressure. > In contrast to the non-centrosymmetric phase LiB{sub 3}O{sub 5}, this high-pressure phase is centrosymmetric. > First example of ternary alkali borates exhibiting threefold bridging oxygen atoms.

• OSTI ID: 21580268
• Journal Information: Journal of Solid State Chemistry, Vol. 184, Issue 9; Other Information: DOI: 10.1016/j.jssc.2011.07.011; PII: S0022-4596(11)00380-X; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0022-4596
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BORATES
LATTICE PARAMETERS
LITHIUM
LITHIUM COMPOUNDS
LITHIUM IONS
ORTHORHOMBIC LATTICES
OXYGEN
PRESSURE RANGE MEGA PA 10-100
QUANTUM MECHANICS
RAMAN SPECTRA
SPACE GROUPS
SYNTHESIS
TEMPERATURE RANGE 0400-1000 K
THREE-DIMENSIONAL CALCULATIONS
ALKALI METAL COMPOUNDS
ALKALI METALS
BORON COMPOUNDS
CHARGED PARTICLES
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELEMENTS
IONS
MECHANICS
METALS
NONMETALS
OXYGEN COMPOUNDS
PRESSURE RANGE
PRESSURE RANGE MEGA PA
SPECTRA
SYMMETRY GROUPS
TEMPERATURE RANGE