Materials Data on ZnTe6O13 by Materials Project
ZnTe6O13 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.10 Å) and three longer (2.22 Å) Zn–O bond lengths. 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 1.89–2.20 Å. In the second Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.59 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two Te4+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Zn2+ and two equivalent Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two equivalent Te4+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1271331
- Report Number(s):
- mp-560198
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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