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Title: Materials Data on SrGeO3 by Materials Project

Abstract

SrGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight O2- atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent GeO4 tetrahedra and edges with four GeO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.51–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.79 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra and edges with two equivalent SrO8 hexagonal bipyramids. There is two shorter (1.73 Å) and two longer (1.83 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one SrO8 hexagonal bipyramid, corners with two GeO4 tetrahedra, and an edgeedge with one SrO8 hexagonal bipyramid. There is two shorter (1.73 Å) and two longer (1.83 Å) Ge–O bond length. There are five inequivalentmore » O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ge4+ atom. In the second O2- site, O2- is bonded to three Sr2+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSr3Ge tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ge4+ atoms.« less

Publication Date:
Other Number(s):
mp-17464
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; SrGeO3; Ge-O-Sr
OSTI Identifier:
1192519
DOI:
https://doi.org/10.17188/1192519

Citation Formats

The Materials Project. Materials Data on SrGeO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192519.
The Materials Project. Materials Data on SrGeO3 by Materials Project. United States. doi:https://doi.org/10.17188/1192519
The Materials Project. 2020. "Materials Data on SrGeO3 by Materials Project". United States. doi:https://doi.org/10.17188/1192519. https://www.osti.gov/servlets/purl/1192519. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1192519,
title = {Materials Data on SrGeO3 by Materials Project},
author = {The Materials Project},
abstractNote = {SrGeO3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to eight O2- atoms to form distorted SrO8 hexagonal bipyramids that share corners with two equivalent GeO4 tetrahedra and edges with four GeO4 tetrahedra. There are a spread of Sr–O bond distances ranging from 2.51–2.79 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.48–2.79 Å. There are two inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with two equivalent GeO4 tetrahedra and edges with two equivalent SrO8 hexagonal bipyramids. There is two shorter (1.73 Å) and two longer (1.83 Å) Ge–O bond length. In the second Ge4+ site, Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share a cornercorner with one SrO8 hexagonal bipyramid, corners with two GeO4 tetrahedra, and an edgeedge with one SrO8 hexagonal bipyramid. There is two shorter (1.73 Å) and two longer (1.83 Å) Ge–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ge4+ atom. In the second O2- site, O2- is bonded to three Sr2+ and one Ge4+ atom to form a mixture of distorted corner and edge-sharing OSr3Ge tetrahedra. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ge4+ atoms. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ge4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+ and two Ge4+ atoms.},
doi = {10.17188/1192519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}