Materials Data on Li2ZnSi by Materials Project
Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.73 Å) and three longer (2.80 Å) Li–Si bond lengths. In the second Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.71 Å) and three longer (2.80 Å) Li–Si bond lengths. In the third Li1+ site, Li1+ is bonded to four Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.74 Å) and three longer (2.79 Å) Li–Si bond lengths. In the fourth Li1+ site, Li1+ is bonded to four equivalent Si4- atoms to form a mixture of distorted face, edge, and corner-sharing LiSi4 tetrahedra. There are one shorter (2.76 Å) and three longer (2.79 Å) Li–Si bond lengths. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.44 Å. In the second Zn2+ site, Zn2+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Zn–Si bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ atoms. In the second Si4- site, Si4- is bonded in a 11-coordinate geometry to eight Li1+ and three equivalent Zn2+ 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:
- 1276324
- Report Number(s):
- mp-571566
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Li14MgSi4 by Materials Project
Materials Data on Li22(Cu3Si2)7 by Materials Project