Materials Data on Pr3Sn5Au6 by Materials Project
Pr3Au6Sn5 is beta Plutonium-derived structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to seven Au and seven Sn atoms. There are a spread of Pr–Au bond distances ranging from 3.26–3.65 Å. There are a spread of Pr–Sn bond distances ranging from 3.37–3.76 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to six Au and six Sn atoms. There are two shorter (3.46 Å) and four longer (3.49 Å) Pr–Au bond lengths. There are four shorter (3.45 Å) and two longer (3.50 Å) Pr–Sn bond lengths. There are four inequivalent Au sites. In the first Au site, Au is bonded in a 4-coordinate geometry to four Pr, one Au, and four Sn atoms. The Au–Au bond length is 2.92 Å. There are a spread of Au–Sn bond distances ranging from 2.71–2.89 Å. In the second Au site, Au is bonded in a 12-coordinate geometry to two equivalent Pr, four equivalent Au, and four Sn atoms. All Au–Au bond lengths are 3.05 Å. There are two shorter (2.80 Å) and two longer (3.01 Å) Au–Sn bond lengths. In the third Au site, Au is bonded in a 10-coordinate geometry to four Pr, two equivalent Au, and four Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.78–2.91 Å. In the fourth Au site, Au is bonded in a 10-coordinate geometry to two equivalent Pr, two equivalent Au, and six Sn atoms. There are four shorter (3.03 Å) and two longer (3.20 Å) Au–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 5-coordinate geometry to four Pr and five Au atoms. In the second Sn site, Sn is bonded in a 10-coordinate geometry to four Pr, five Au, and one Sn atom. The Sn–Sn bond length is 3.24 Å. In the third Sn site, Sn is bonded in a 12-coordinate geometry to four equivalent Pr, six Au, and two equivalent Sn atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1312032
- Report Number(s):
- mp-867370
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on K12Sn4Au21 by Materials Project
Materials Data on Ce3Sn5Au6 by Materials Project