U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr3TeO8 by Materials Project
Abstract
Cr3TeO8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent TeO6 octahedra, an edgeedge with one TeO6 octahedra, and edges with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Cr–O bond distances ranging from 1.92–2.07 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CrO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is three shorter (1.93 Å) and three longer (2.01 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cr4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-770187
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cr3TeO8; Cr-O-Te
- OSTI Identifier:
- 1299571
- DOI:
- https://doi.org/10.17188/1299571
Citation Formats
The Materials Project. Materials Data on Cr3TeO8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1299571.
The Materials Project. Materials Data on Cr3TeO8 by Materials Project. United States. doi:https://doi.org/10.17188/1299571
The Materials Project. 2020.
"Materials Data on Cr3TeO8 by Materials Project". United States. doi:https://doi.org/10.17188/1299571. https://www.osti.gov/servlets/purl/1299571. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1299571,
title = {Materials Data on Cr3TeO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3TeO8 is beta Vanadium nitride-derived structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Cr4+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with two equivalent TeO6 octahedra, an edgeedge with one TeO6 octahedra, and edges with four equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Cr–O bond distances ranging from 1.92–2.07 Å. Te4+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent CrO6 octahedra and edges with three equivalent CrO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There is three shorter (1.93 Å) and three longer (2.01 Å) Te–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Cr4+ and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Cr4+ and one Te4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Cr4+ atoms. In the fourth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three equivalent Cr4+ atoms.},
doi = {10.17188/1299571},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}