A new family of lithium rare-earth oxyborates, LiLn{sub 6}O{sub 5}(BO{sub 3}){sub 3} (Ln = Pr-Tm): Crystal structure of the gadolinium phase LiGd{sub 6}O{sub 5}(BO{sub 3}){sub 3}

Journal Article · Sun Aug 01 04:00:00 EDT 1999 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1006/jssc.1999.8331· OSTI ID:679263

Chaminade, J P; Gravereau, P; Jubera, V; Fouassier, C ^[1]

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1. Univ. de Bordeaux I, Pessac (France). Inst. de Chimie de la Matiere Condensee

A new family of lithium rare earth oxyborates of formula LiLn{sub 6}O{sub 5}(BO{sub 3}){sub 3} (Ln = Pr-Tm) has been discovered in the ternary-phase diagrams Li{sub 2}O-Ln{sub 2}O{sub 3}-B{sub 2}O{sub 3}. Since crystals of LiGd{sub 6}O{sub 5}(BO{sub 3}){sub 3} were grown by the flux method. The structure of the oxyborate was solved using a data collection with a four-circle automatic diffractometer (CAD-4) and with MoK{alpha} radiation. The cell is monoclinic (space group P2{sub 1}/c, Z = 4) with a = 8.489(4) {angstrom}, b = 15.706(3) {angstrom}, c = 12.117(6) {angstrom}, {beta} = 132.27(2){degree}, and V = 1195(1) {angstrom}{sup 3}. Refinement of 198 parameters using 4402 independent reflections having intensity I > 3{sigma}(I) led to R = 0.037 (wR = 0.087). The structure of LiGd{sub 6}O{sub 5}(BO{sub 3}){sub 3} can be described as a three-dimensional framework, (Gd{sub 6}O{sub 14}){sup 10{minus}}, of Gd polyhedra connected by common edges and corners, forming cavities where Li and B atoms are inserted. Some oxygen atoms share only Gd polyhedra, justifying the oxyborate label.

• OSTI ID: 679263
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 146; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ATOMIC MODELS
BORON OXIDES
CRYSTAL STRUCTURE
EXPERIMENTAL DATA
GADOLINIUM OXIDES
LATTICE PARAMETERS
LITHIUM OXIDES
VALENCE
X-RAY DIFFRACTION