Materials Data on TlCrO3 by Materials Project
Abstract
TlCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr5+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of Cr–O bond distances ranging from 2.02–2.06 Å. Tl1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.25–2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cr5+ and two equivalent Tl1+ atoms to form distorted corner-sharing OTl2Cr2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cr5+ and three equivalent Tl1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105306
- 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; TlCrO3; Cr-O-Tl
- OSTI Identifier:
- 1732345
- DOI:
- https://doi.org/10.17188/1732345
Citation Formats
The Materials Project. Materials Data on TlCrO3 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1732345.
The Materials Project. Materials Data on TlCrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1732345
The Materials Project. 2018.
"Materials Data on TlCrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1732345. https://www.osti.gov/servlets/purl/1732345. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1732345,
title = {Materials Data on TlCrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlCrO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr5+ is bonded to six O2- atoms to form corner-sharing CrO6 octahedra. The corner-sharing octahedra tilt angles range from 35–36°. There are a spread of Cr–O bond distances ranging from 2.02–2.06 Å. Tl1+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Tl–O bond distances ranging from 2.25–2.80 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Cr5+ and two equivalent Tl1+ atoms to form distorted corner-sharing OTl2Cr2 tetrahedra. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Cr5+ and three equivalent Tl1+ atoms.},
doi = {10.17188/1732345},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}