A neutron diffraction study of the d{sup 0} and d{sup 10} lithium garnets Li{sub 3}Nd{sub 3}W{sub 2}O{sub 12} and Li{sub 5}La{sub 3}Sb{sub 2}O{sub 12}

Journal Article · Fri Jun 15 04:00:00 EDT 2007 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2007.04.007· OSTI ID:21015844

Cussen, Edmund J ^[1]; Yip, Thomas W.S. ^[1]

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1. WestCHEM, Department of Pure and Applied Chemistry, Thomas Graham Building, University of Strathclyde, 295 Cathedral Street, Glasgow G1 1XL, Scotland (United Kingdom)

The garnets Li{sub 3}Nd{sub 3}W{sub 2}O{sub 12} and Li{sub 5}La{sub 3}Sb{sub 2}O{sub 12} have been prepared by heating the component oxides and hydroxides in air at temperatures up to 950deg. C. Neutron powder diffraction has been used to examine the lithium distribution in these phases. Both compounds crystallise in the space group Ia3-bard with lattice parameters a=12.46869(9)A (Li{sub 3}Nd{sub 3}W{sub 2}O{sub 12}) and a=12.8518(3)A (Li{sub 5}La{sub 3}Sb{sub 2}O{sub 12}). Li{sub 3}Nd{sub 3}W{sub 2}O{sub 12} contains lithium on a filled, tetrahedrally coordinated 24d site that is occupied in the conventional garnet structure. Li{sub 5}La{sub 3}Sb{sub 2}O{sub 12} contains partial occupation of lithium over two crystallographic sites. The conventional tetrahedrally coordinated 24d site is 79.3(8)% occupied. The remaining lithium is found in oxide octahedra which are linked via a shared face to the tetrahedron. This lithium shows positional disorder and is split over two positions within the octahedron and occupies 43.6(4)% of the octahedra. Comparison of these compounds with related d{sup 0} and d{sup 10} phases shows that replacement of a d{sup 0} cation with d{sup 10} cation of the same charge leads to an increase in the lattice parameter due to polarisation effects.

• OSTI ID: 21015844
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 6 Vol. 180; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
ANTIMONY COMPOUNDS
CRYSTALLOGRAPHY
GARNETS
HEATING
HYDROXIDES
LANTHANUM COMPOUNDS
LATTICE PARAMETERS
LITHIUM COMPOUNDS
NEODYMIUM COMPOUNDS
NEUTRON DIFFRACTION
OXIDES
SPACE GROUPS
TEMPERATURE RANGE 1000-4000 K
TUNGSTEN COMPOUNDS