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Title: Materials Data on SrO2 by Materials Project

Abstract

SrO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded to eight O atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent SrO8 hexagonal bipyramids, corners with four equivalent OSr4O square pyramids, edges with six equivalent SrO8 hexagonal bipyramids, and faces with two equivalent SrO8 hexagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.45–2.81 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Sr and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded to four equivalent Sr and one O atom to form distorted OSr4O square pyramids that share corners with four equivalent SrO8 hexagonal bipyramids, corners with eight equivalent OSr4O square pyramids, and edges with two equivalent OSr4O square pyramids.

Publication Date:
Other Number(s):
mp-1179089
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; SrO2; O-Sr
OSTI Identifier:
1699516
DOI:
https://doi.org/10.17188/1699516

Citation Formats

The Materials Project. Materials Data on SrO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699516.
The Materials Project. Materials Data on SrO2 by Materials Project. United States. doi:https://doi.org/10.17188/1699516
The Materials Project. 2020. "Materials Data on SrO2 by Materials Project". United States. doi:https://doi.org/10.17188/1699516. https://www.osti.gov/servlets/purl/1699516. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699516,
title = {Materials Data on SrO2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrO2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded to eight O atoms to form distorted SrO8 hexagonal bipyramids that share corners with four equivalent SrO8 hexagonal bipyramids, corners with four equivalent OSr4O square pyramids, edges with six equivalent SrO8 hexagonal bipyramids, and faces with two equivalent SrO8 hexagonal bipyramids. There are a spread of Sr–O bond distances ranging from 2.45–2.81 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four equivalent Sr and one O atom. The O–O bond length is 1.51 Å. In the second O site, O is bonded to four equivalent Sr and one O atom to form distorted OSr4O square pyramids that share corners with four equivalent SrO8 hexagonal bipyramids, corners with eight equivalent OSr4O square pyramids, and edges with two equivalent OSr4O square pyramids.},
doi = {10.17188/1699516},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}