Materials Data on Ce3(AgSn)4 by Materials Project
Ce3Ag4Sn4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to six equivalent Ag and four Sn atoms. There are four shorter (3.44 Å) and two longer (3.71 Å) Ce–Ag bond lengths. There are two shorter (3.08 Å) and two longer (3.27 Å) Ce–Sn bond lengths. In the second Ce site, Ce is bonded to eight equivalent Ag and four Sn atoms to form distorted face-sharing CeAg8Sn4 cuboctahedra. All Ce–Ag bond lengths are 3.45 Å. There are two shorter (2.88 Å) and two longer (3.12 Å) Ce–Sn bond lengths. Ag is bonded in a 9-coordinate geometry to five Ce and four Sn atoms. There are two shorter (2.99 Å) and two longer (3.18 Å) Ag–Sn bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 7-coordinate geometry to three Ce and four equivalent Ag atoms. In the second Sn site, Sn is bonded in a 1-coordinate geometry to three Ce, four equivalent Ag, and one Sn atom. The Sn–Sn bond length is 2.71 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1276853
- Report Number(s):
- mp-581496
- Country of Publication:
- United States
- Language:
- English
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