U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U7(Pd3S4)8 by Materials Project
Abstract
U7(Pd3S4)8 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a body-centered cubic geometry to eight equivalent S atoms. All U–S bond lengths are 2.90 Å. In the second U site, U is bonded in a body-centered cubic geometry to eight S atoms. There are two shorter (2.76 Å) and six longer (2.90 Å) U–S bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a rectangular see-saw-like geometry to four S atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a rectangular see-saw-like geometry to four equivalent S atoms. All Pd–S bond lengths are 2.37 Å. There are two inequivalent S sites. In the first S site, S is bonded to two U and three Pd atoms to form SU2Pd3 trigonal bipyramids that share corners with nine equivalent SU2Pd3 trigonal bipyramids, corners with two equivalent SUPd3 trigonal pyramids, edges with five equivalent SU2Pd3 trigonal bipyramids, and an edgeedge with one SUPd3 trigonal pyramid. In the second S site, S ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-531882
- 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; U7(Pd3S4)8; Pd-S-U
- OSTI Identifier:
- 1263354
- DOI:
- https://doi.org/10.17188/1263354
Citation Formats
The Materials Project. Materials Data on U7(Pd3S4)8 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1263354.
The Materials Project. Materials Data on U7(Pd3S4)8 by Materials Project. United States. doi:https://doi.org/10.17188/1263354
The Materials Project. 2017.
"Materials Data on U7(Pd3S4)8 by Materials Project". United States. doi:https://doi.org/10.17188/1263354. https://www.osti.gov/servlets/purl/1263354. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1263354,
title = {Materials Data on U7(Pd3S4)8 by Materials Project},
author = {The Materials Project},
abstractNote = {U7(Pd3S4)8 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a body-centered cubic geometry to eight equivalent S atoms. All U–S bond lengths are 2.90 Å. In the second U site, U is bonded in a body-centered cubic geometry to eight S atoms. There are two shorter (2.76 Å) and six longer (2.90 Å) U–S bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a rectangular see-saw-like geometry to four S atoms. There are two shorter (2.36 Å) and two longer (2.37 Å) Pd–S bond lengths. In the second Pd site, Pd is bonded in a rectangular see-saw-like geometry to four equivalent S atoms. All Pd–S bond lengths are 2.37 Å. There are two inequivalent S sites. In the first S site, S is bonded to two U and three Pd atoms to form SU2Pd3 trigonal bipyramids that share corners with nine equivalent SU2Pd3 trigonal bipyramids, corners with two equivalent SUPd3 trigonal pyramids, edges with five equivalent SU2Pd3 trigonal bipyramids, and an edgeedge with one SUPd3 trigonal pyramid. In the second S site, S is bonded to one U and three equivalent Pd atoms to form SUPd3 trigonal pyramids that share corners with six equivalent SU2Pd3 trigonal bipyramids, corners with four equivalent SUPd3 trigonal pyramids, and edges with three equivalent SU2Pd3 trigonal bipyramids.},
doi = {10.17188/1263354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}