Materials Data on Sr2Si by Materials Project
Sr2Si is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent Si4- atoms. There are one shorter (3.26 Å) and two longer (3.46 Å) Sr–Si bond lengths. In the second Sr2+ site, Sr2+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing SrSi4 tetrahedra. There are a spread of Sr–Si bond distances ranging from 3.18–3.25 Å. Si4- is bonded in a 7-coordinate geometry to seven Sr2+ 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:
- 1187548
- Report Number(s):
- mp-1106
- Country of Publication:
- United States
- Language:
- English
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