U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2TeSeS2 by Materials Project
Abstract
U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to two equivalent Te2-, two equivalent Se2-, and four equivalent S2- atoms. Both U–Te bond lengths are 3.05 Å. There are one shorter (3.06 Å) and one longer (3.31 Å) U–Se bond lengths. There are two shorter (2.67 Å) and two longer (2.76 Å) U–S bond lengths. In the second U4+ site, U4+ is bonded in a 6-coordinate geometry to two equivalent Te2-, two equivalent Se2-, and four equivalent S2- atoms. There are one shorter (3.31 Å) and one longer (3.39 Å) U–Te bond lengths. Both U–Se bond lengths are 2.87 Å. There are two shorter (2.74 Å) and two longer (2.78 Å) U–S bond lengths. Te2- is bonded in a 2-coordinate geometry to four U4+ and five S2- atoms. There are a spread of Te–S bond distances ranging from 3.35–3.48 Å. Se2- is bonded in a 4-coordinate geometry to four U4+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent U4+ and four equivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217019
- 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; U2TeSeS2; S-Se-Te-U
- OSTI Identifier:
- 1731930
- DOI:
- https://doi.org/10.17188/1731930
Citation Formats
The Materials Project. Materials Data on U2TeSeS2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1731930.
The Materials Project. Materials Data on U2TeSeS2 by Materials Project. United States. doi:https://doi.org/10.17188/1731930
The Materials Project. 2019.
"Materials Data on U2TeSeS2 by Materials Project". United States. doi:https://doi.org/10.17188/1731930. https://www.osti.gov/servlets/purl/1731930. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1731930,
title = {Materials Data on U2TeSeS2 by Materials Project},
author = {The Materials Project},
abstractNote = {U2TeSeS2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to two equivalent Te2-, two equivalent Se2-, and four equivalent S2- atoms. Both U–Te bond lengths are 3.05 Å. There are one shorter (3.06 Å) and one longer (3.31 Å) U–Se bond lengths. There are two shorter (2.67 Å) and two longer (2.76 Å) U–S bond lengths. In the second U4+ site, U4+ is bonded in a 6-coordinate geometry to two equivalent Te2-, two equivalent Se2-, and four equivalent S2- atoms. There are one shorter (3.31 Å) and one longer (3.39 Å) U–Te bond lengths. Both U–Se bond lengths are 2.87 Å. There are two shorter (2.74 Å) and two longer (2.78 Å) U–S bond lengths. Te2- is bonded in a 2-coordinate geometry to four U4+ and five S2- atoms. There are a spread of Te–S bond distances ranging from 3.35–3.48 Å. Se2- is bonded in a 4-coordinate geometry to four U4+ atoms. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent U4+ and four equivalent Te2- atoms. In the second S2- site, S2- is bonded in a distorted square co-planar geometry to four equivalent U4+ and one Te2- atom.},
doi = {10.17188/1731930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}