Materials Data on Ca2GaSn by Materials Project
Ca2GaSn crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 7-coordinate geometry to three equivalent Ga and four equivalent Sn atoms. There are one shorter (3.23 Å) and two longer (3.38 Å) Ca–Ga bond lengths. All Ca–Sn bond lengths are 3.27 Å. In the second Ca site, Ca is bonded in a 7-coordinate geometry to four equivalent Ga and three equivalent Sn atoms. All Ca–Ga bond lengths are 3.26 Å. There are one shorter (3.27 Å) and two longer (3.35 Å) Ca–Sn bond lengths. Ga is bonded in a 9-coordinate geometry to seven Ca and two equivalent Sn atoms. Both Ga–Sn bond lengths are 2.80 Å. Sn is bonded in a 9-coordinate geometry to seven Ca and two equivalent Ga atoms.
- 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:
- 1687462
- Report Number(s):
- mp-1227330
- Country of Publication:
- United States
- Language:
- English
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