Materials Data on Sr3SiO by Materials Project
Sr3SiO is Orthorhombic Perovskite 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 2-coordinate geometry to three equivalent Si4- and two equivalent O2- atoms. There are a spread of Sr–Si bond distances ranging from 3.20–3.58 Å. Both Sr–O bond lengths are 2.58 Å. In the second Sr2+ site, Sr2+ is bonded in a 2-coordinate geometry to two equivalent Si4- and two equivalent O2- atoms. There are one shorter (3.18 Å) and one longer (3.36 Å) Sr–Si bond lengths. Both Sr–O bond lengths are 2.58 Å. Si4- is bonded in a 8-coordinate geometry to eight Sr2+ atoms. O2- is bonded to six Sr2+ atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles are 21°.
- 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:
- 1205289
- Report Number(s):
- mp-30949
- Country of Publication:
- United States
- Language:
- English
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