U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U2PdS4 by Materials Project
Abstract
U2PdS4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. U3+ is bonded to seven S2- atoms to form distorted US7 pentagonal bipyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with two equivalent PdS4 trigonal pyramids, edges with seven equivalent US7 pentagonal bipyramids, and edges with two equivalent PdS4 trigonal pyramids. There are a spread of U–S bond distances ranging from 2.73–2.83 Å. Pd2+ is bonded to four equivalent S2- atoms to form distorted PdS4 trigonal pyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with four equivalent PdS4 trigonal pyramids, and edges with four equivalent US7 pentagonal bipyramids. There are two shorter (2.39 Å) and two longer (2.56 Å) Pd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted pentagonal planar geometry to three equivalent U3+ and two equivalent Pd2+ atoms. In the second S2- site, S2- is bonded to four equivalent U3+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5335
- 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; U2PdS4; Pd-S-U
- OSTI Identifier:
- 1263482
- DOI:
- https://doi.org/10.17188/1263482
Citation Formats
The Materials Project. Materials Data on U2PdS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263482.
The Materials Project. Materials Data on U2PdS4 by Materials Project. United States. doi:https://doi.org/10.17188/1263482
The Materials Project. 2020.
"Materials Data on U2PdS4 by Materials Project". United States. doi:https://doi.org/10.17188/1263482. https://www.osti.gov/servlets/purl/1263482. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1263482,
title = {Materials Data on U2PdS4 by Materials Project},
author = {The Materials Project},
abstractNote = {U2PdS4 crystallizes in the orthorhombic Fdd2 space group. The structure is three-dimensional. U3+ is bonded to seven S2- atoms to form distorted US7 pentagonal bipyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with two equivalent PdS4 trigonal pyramids, edges with seven equivalent US7 pentagonal bipyramids, and edges with two equivalent PdS4 trigonal pyramids. There are a spread of U–S bond distances ranging from 2.73–2.83 Å. Pd2+ is bonded to four equivalent S2- atoms to form distorted PdS4 trigonal pyramids that share corners with four equivalent US7 pentagonal bipyramids, corners with four equivalent PdS4 trigonal pyramids, and edges with four equivalent US7 pentagonal bipyramids. There are two shorter (2.39 Å) and two longer (2.56 Å) Pd–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted pentagonal planar geometry to three equivalent U3+ and two equivalent Pd2+ atoms. In the second S2- site, S2- is bonded to four equivalent U3+ atoms to form a mixture of distorted edge and corner-sharing SU4 tetrahedra.},
doi = {10.17188/1263482},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 14 00:00:00 EDT 2020},
month = {Tue Jul 14 00:00:00 EDT 2020}
}