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Crystal Structure of Thallium Triborate, TIB3O5

✍ Scribed by M. Touboul; E. Bétourné; G. Nowogrocki


Publisher
Elsevier Science
Year
1997
Tongue
English
Weight
258 KB
Volume
131
Category
Article
ISSN
0022-4596

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✦ Synopsis


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


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