U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsUTe3Au by Materials Project
Abstract
CsAuUTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are six shorter (3.92 Å) and two longer (4.04 Å) Cs–Te bond lengths. U6+ is bonded to six Te2- atoms to form distorted UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent AuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.06 Å) and four longer (3.10 Å) U–Te bond lengths. Au1- is bonded to four Te2- atoms to form distorted AuTe4 tetrahedra that share corners with two equivalent AuTe4 tetrahedra and edges with four equivalent UTe6 octahedra. There are two shorter (2.75 Å) and two longer (2.84 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent U6+, and two equivalent Au1- atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent U6+, and one Au1- atom.
- Publication Date:
- Other Number(s):
- mp-1102029
- DOE Contract Number:
- AC02-05CH11231;
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Au-Cs-Te-U; crystal structure; CsUTe3Au
- OSTI Identifier:
- 1677908
- DOI:
- https://doi.org/10.17188/1677908
Citation Formats
Materials Data on CsUTe3Au by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1677908.
Materials Data on CsUTe3Au by Materials Project. United States. doi:https://doi.org/10.17188/1677908
2018.
"Materials Data on CsUTe3Au by Materials Project". United States. doi:https://doi.org/10.17188/1677908. https://www.osti.gov/servlets/purl/1677908. Pub date:Tue Jul 17 20:00:00 EDT 2018
@article{osti_1677908,
title = {Materials Data on CsUTe3Au by Materials Project},
abstractNote = {CsAuUTe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are six shorter (3.92 Å) and two longer (4.04 Å) Cs–Te bond lengths. U6+ is bonded to six Te2- atoms to form distorted UTe6 octahedra that share corners with two equivalent UTe6 octahedra, edges with two equivalent UTe6 octahedra, and edges with four equivalent AuTe4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are two shorter (3.06 Å) and four longer (3.10 Å) U–Te bond lengths. Au1- is bonded to four Te2- atoms to form distorted AuTe4 tetrahedra that share corners with two equivalent AuTe4 tetrahedra and edges with four equivalent UTe6 octahedra. There are two shorter (2.75 Å) and two longer (2.84 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to two equivalent Cs1+, two equivalent U6+, and two equivalent Au1- atoms. In the second Te2- site, Te2- is bonded in a 6-coordinate geometry to three equivalent Cs1+, two equivalent U6+, and one Au1- atom.},
doi = {10.17188/1677908},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}