U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsCr5Te8 by Materials Project
Abstract
CsCr5Te8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.89–4.09 Å. There are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.70–2.86 Å. In the second Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.71–2.83 Å. In the third Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.73 Å) and four longer (2.75 Å) Cr–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five Cr3+ atoms. In the secondmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-866025
- 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; CsCr5Te8; Cr-Cs-Te
- OSTI Identifier:
- 1311195
- DOI:
- https://doi.org/10.17188/1311195
Citation Formats
The Materials Project. Materials Data on CsCr5Te8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311195.
The Materials Project. Materials Data on CsCr5Te8 by Materials Project. United States. doi:https://doi.org/10.17188/1311195
The Materials Project. 2020.
"Materials Data on CsCr5Te8 by Materials Project". United States. doi:https://doi.org/10.17188/1311195. https://www.osti.gov/servlets/purl/1311195. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1311195,
title = {Materials Data on CsCr5Te8 by Materials Project},
author = {The Materials Project},
abstractNote = {CsCr5Te8 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to ten Te2- atoms. There are a spread of Cs–Te bond distances ranging from 3.89–4.09 Å. There are three inequivalent Cr3+ sites. In the first Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.70–2.86 Å. In the second Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge, face, and corner-sharing CrTe6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Cr–Te bond distances ranging from 2.71–2.83 Å. In the third Cr3+ site, Cr3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing CrTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two shorter (2.73 Å) and four longer (2.75 Å) Cr–Te bond lengths. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to five Cr3+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to one Cs1+ and four Cr3+ atoms. In the third Te2- site, Te2- is bonded in a 5-coordinate geometry to two equivalent Cs1+ and three Cr3+ atoms. In the fourth Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and three equivalent Cr3+ atoms.},
doi = {10.17188/1311195},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}