Materials Data on Y2SnAu2 by Materials Project
Y2Au2Sn crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.95 Å) and four longer (3.11 Å) Y–Au bond lengths. All Y–Sn bond lengths are 3.55 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six equivalent Au and four equivalent Sn atoms. There are two shorter (2.99 Å) and four longer (3.03 Å) Y–Au bond lengths. All Y–Sn bond lengths are 3.47 Å. Au is bonded in a 9-coordinate geometry to six Y and two equivalent Sn atoms. Both Au–Sn bond lengths are 3.14 Å. Sn is bonded to eight Y and four equivalent Au atoms to form a mixture of distorted corner and face-sharing SnY8Au4 cuboctahedra.
- 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:
- 1710762
- Report Number(s):
- mp-1105850
- Country of Publication:
- United States
- Language:
- English
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