High-pressure single-crystal X-ray diffraction of Tl{sub 2}SeO{sub 4}
- Departamento de Fisica de la Materia Condensada, Universidad del Pais Vasco, E-48080 Bilbao (Spain)
The effect of pressure on the crystal structure of thallium selenate (Tl{sub 2}SeO{sub 4}) (Pmcn, Z=4), containing the Tl{sup +} cations with electron lone pairs, has been studied with single-crystal X-ray diffraction in a diamond anvil cell up to 3.64 GPa at room temperature. No phase transition has been observed. The compressibility data are fitted by a Murnaghan equation of state with the zero-pressure bulk modulus B{sub 0}=29(1) GPa and the unit-cell volume at ambient pressure V{sub 0}=529.6(8) A{sup 3} (B'=4.00). Tl{sub 2}SeO{sub 4} is the least compressible in the c direction, while the pressure-induced changes of the a and b lattice parameters are quite similar. These observations can be explained by different pressure effects on the nine- and 11-fold coordination polyhedra around the two non-equivalent Tl atoms. The SeO{sub 4}{sup 2-} tetrahedra are not rigid units and become more distorted. Their contribution to the compressibility is small. The effect of pressure on the isotypical oxide materials A{sub 2}TO{sub 4} with the {beta}-K{sub 2}SO{sub 4} structure is discussed. It appears that the presence of electron lone pairs on the Tl{sup +} cation does not seem to influence the compressibility of Tl{sub 2}SeO{sub 4}. - Graphical abstract: Pressure dependence of normalized lattice parameters and unit-cell volumes in Tl{sub 2}SeO{sub 4} (Pmcn, Z=4). The solid line is the Murnaghan equation of state.
- OSTI ID:
- 21212083
- Journal Information:
- Journal of Solid State Chemistry, Vol. 181, Issue 11; Other Information: DOI: 10.1016/j.jssc.2008.07.015; PII: S0022-4596(08)00383-6; Copyright (c) 2008 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
COMPRESSIBILITY
CRYSTAL STRUCTURE
EQUATIONS OF STATE
LATTICE PARAMETERS
MONOCRYSTALS
OXIDES
PHASE TRANSFORMATIONS
POTASSIUM SULFATES
PRESSURE DEPENDENCE
PRESSURE RANGE GIGA PA
SELENATES
TEMPERATURE RANGE 0273-0400 K
THALLIUM COMPOUNDS
THALLIUM IONS
X-RAY DIFFRACTION