U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pr2SbAu3 by Materials Project
Abstract
Pr2Au3Sb is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing PrSb2Au10 cuboctahedra. There are a spread of Pr–Au bond distances ranging from 3.28–3.34 Å. Both Pr–Sb bond lengths are 3.49 Å. In the second Pr3+ site, Pr3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing PrSb4Au8 cuboctahedra. There are a spread of Pr–Au bond distances ranging from 3.29–3.53 Å. All Pr–Sb bond lengths are 3.36 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+ and three Au1- atoms. There are two shorter (2.75 Å) and one longer (2.77 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.79 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+, two equivalent Au1-,more »
- Publication Date:
- Other Number(s):
- mp-1219834
- 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-Pr-Sb; Pr2SbAu3; crystal structure
- OSTI Identifier:
- 1708118
- DOI:
- https://doi.org/10.17188/1708118
Citation Formats
Materials Data on Pr2SbAu3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708118.
Materials Data on Pr2SbAu3 by Materials Project. United States. doi:https://doi.org/10.17188/1708118
2020.
"Materials Data on Pr2SbAu3 by Materials Project". United States. doi:https://doi.org/10.17188/1708118. https://www.osti.gov/servlets/purl/1708118. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708118,
title = {Materials Data on Pr2SbAu3 by Materials Project},
abstractNote = {Pr2Au3Sb is hexagonal omega structure-derived structured and crystallizes in the orthorhombic Pmm2 space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded to ten Au1- and two equivalent Sb3- atoms to form a mixture of edge and face-sharing PrSb2Au10 cuboctahedra. There are a spread of Pr–Au bond distances ranging from 3.28–3.34 Å. Both Pr–Sb bond lengths are 3.49 Å. In the second Pr3+ site, Pr3+ is bonded to eight Au1- and four equivalent Sb3- atoms to form a mixture of edge and face-sharing PrSb4Au8 cuboctahedra. There are a spread of Pr–Au bond distances ranging from 3.29–3.53 Å. All Pr–Sb bond lengths are 3.36 Å. There are three inequivalent Au1- sites. In the first Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+ and three Au1- atoms. There are two shorter (2.75 Å) and one longer (2.77 Å) Au–Au bond lengths. In the second Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+, one Au1-, and two equivalent Sb3- atoms. Both Au–Sb bond lengths are 2.79 Å. In the third Au1- site, Au1- is bonded in a 9-coordinate geometry to six Pr3+, two equivalent Au1-, and one Sb3- atom. The Au–Sb bond length is 2.83 Å. Sb3- is bonded in a 3-coordinate geometry to six Pr3+ and three Au1- atoms.},
doi = {10.17188/1708118},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}