Materials Data on LaGaSi by Materials Project
LaGaSi crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. La2+ is bonded to six equivalent Si4- atoms to form a mixture of distorted edge, face, and corner-sharing LaSi6 pentagonal pyramids. There are two shorter (3.23 Å) and four longer (3.28 Å) La–Si bond lengths. Ga2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. There are one shorter (2.42 Å) and two longer (2.47 Å) Ga–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. In the second Si4- site, Si4- is bonded in a 3-coordinate geometry to six equivalent La2+ and three equivalent Ga2+ atoms. There are two shorter (3.23 Å) and four longer (3.28 Å) Si–La bond lengths. There are one shorter (2.42 Å) and two longer (2.47 Å) Si–Ga bond lengths.
- 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:
- 1708229
- Report Number(s):
- mp-1222823
- Country of Publication:
- United States
- Language:
- English
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