Crystal structure of thallium triborate, TlB{sub 3}O{sub 5}

Journal Article · Tue Jul 01 00:00:00 EDT 1997 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1006/jssc.1997.7399· OSTI ID:576438

Touboul, M; Betourne, E ^[1]; Nowogrocki, G ^[2]

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1. URA CNRS, Amiens (France)
2. URA CNRS 452, Villeneuve d`Ascq (France)

Thallium triborate, TlB{sub 3}O{sub 5} (TBO), crystallizes in the orthorhombic system, space group P2{sub 1}2{sub 1}2{sub 1} with unit cell dimensions a = 5.2099(3) {angstrom}, b = 8.248(1) {angstrom}, and c = 10.206(2) {angstrom}; Z = 4. The structure was solved from 1340 independent reflections to R = 0.038 and R{sub w} = 0.041. The borate anion of the structure forms a three-dimensional framework built up from B{sub 3}O{sub 3} rings; its shorthand notation is 3:{infinity}{sup 3}(2{del}+T), where {del} is a BO{sub 3} triangle and T is a BO{sub 4} tetrahedron. This compound is isostructural with CsB{sub 3}O{sub 5} (CBO) but some differences exist in the oxygenated surroundings of cesium and thallium cations due to the larger size of Cs{sup +}. Like CBO, TBO may be a good candidate for nonlinear optical applications as a second harmonic generator.

• OSTI ID: 576438
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2 Vol. 131; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BORATES
CESIUM IONS
CRYSTAL STRUCTURE
NONLINEAR OPTICS
THALLIUM COMPOUNDS
X-RAY DIFFRACTION