skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Sr3SiO by Materials Project

Abstract

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°.

Publication Date:
Other Number(s):
mp-30949
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sr3SiO; O-Si-Sr
OSTI Identifier:
1205289
DOI:
10.17188/1205289

Citation Formats

The Materials Project. Materials Data on Sr3SiO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205289.
The Materials Project. Materials Data on Sr3SiO by Materials Project. United States. doi:10.17188/1205289.
The Materials Project. 2020. "Materials Data on Sr3SiO by Materials Project". United States. doi:10.17188/1205289. https://www.osti.gov/servlets/purl/1205289. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1205289,
title = {Materials Data on Sr3SiO by Materials Project},
author = {The Materials Project},
abstractNote = {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°.},
doi = {10.17188/1205289},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: