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The crystal structure and absolute optical chirality of paratellurite, α-TeO2

1988/09/10 by P. A. Thomas, P A Thomas · 2 citations
Materials Science · Physics and Astronomy · #Crystal Structures and Properties #Optical and Acousto-Optic Technologies #Solid-state spectroscopy and crystallography

paper · doi:10.1088/0022-3719/21/25/009

crossref issued 1988/09/10 · crossref published 1988/09/10 · crossref published-print 1988/09/10 · openalex publication_date 1988/09/10 · crossref published-online 2000/11/21 · crossref created 2002/07/26 · crossref deposited 2020/04/10 · openalex created_date 2025/10/10 · crossref indexed 2026/07/28 · openalex updated_date 2026/07/30

Abstract

The crystal structure of paratellurite, alpha -TeO 2 , space group P4 1 2 1 2, a=4.8082(3) AA, c=7.612(1) AA, is refined from single-crystal X-ray data (547 unique reflections). The atomic arrangement in the structure is correlated with the experimentally observed optical rotation (OR) along the unique axis. A structural origin for the OR is identified and demonstrated through the development of model structures. Calculations of the OR and birefringence in alpha -TeO 2 are made (using the program of Devarajan and Glazer) and it is demonstrated that the explicit inclusion of the contribution of the lone pair of Te(IV) to the optical response is essential for good agreement with experimental data.

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