Materials Data on TeO2 by Materials Project
TeO2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of one TeO2 ribbon oriented in the (0, 1, 0) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.90–2.30 Å. In the second Te4+ site, Te4+ is bonded to five O2- atoms to form a mixture of distorted corner and edge-sharing TeO5 trigonal bipyramids. There are a spread of Te–O bond distances ranging from 2.07–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Te4+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Te4+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1693092
- Report Number(s):
- mp-1103475
- Country of Publication:
- United States
- Language:
- English
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