U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2U(PdS2)3 by Materials Project
Abstract
Rb2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (3.33 Å) and four longer (3.34 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.74–3.80 Å. U4+ is bonded in a distorted pentagonal pyramidal geometry to six S2- atoms. There are four shorter (2.68 Å) and two longer (2.70 Å) U–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Rb1+, one U4+, and two Pd2+ atoms. In the second S2- site, S2-more »
- Publication Date:
- Other Number(s):
- mp-1192260
- 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; crystal structure; Pd-Rb-S-U; Rb2U(PdS2)3
- OSTI Identifier:
- 1675829
- DOI:
- https://doi.org/10.17188/1675829
Citation Formats
Materials Data on Rb2U(PdS2)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675829.
Materials Data on Rb2U(PdS2)3 by Materials Project. United States. doi:https://doi.org/10.17188/1675829
2020.
"Materials Data on Rb2U(PdS2)3 by Materials Project". United States. doi:https://doi.org/10.17188/1675829. https://www.osti.gov/servlets/purl/1675829. Pub date:Fri May 01 20:00:00 EDT 2020
@article{osti_1675829,
title = {Materials Data on Rb2U(PdS2)3 by Materials Project},
abstractNote = {Rb2U(PdS2)3 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight S2- atoms. There are four shorter (3.33 Å) and four longer (3.34 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 10-coordinate geometry to ten S2- atoms. There are a spread of Rb–S bond distances ranging from 3.74–3.80 Å. U4+ is bonded in a distorted pentagonal pyramidal geometry to six S2- atoms. There are four shorter (2.68 Å) and two longer (2.70 Å) U–S bond lengths. There are two inequivalent Pd2+ sites. In the first Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four S2- atoms. There are two shorter (2.38 Å) and two longer (2.39 Å) Pd–S bond lengths. In the second Pd2+ site, Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.38 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 6-coordinate geometry to three Rb1+, one U4+, and two Pd2+ atoms. In the second S2- site, S2- is bonded to three Rb1+, one U4+, and two equivalent Pd2+ atoms to form a mixture of distorted edge, corner, and face-sharing SRb3UPd2 octahedra. The corner-sharing octahedra tilt angles range from 27–79°.},
doi = {10.17188/1675829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}