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Title: Materials Data on BaGe2S5 by Materials Project

Abstract

BaGe2S5 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Ba–S bond lengths are 3.31 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.18 Å) and three longer (2.25 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded to three equivalent Ba2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SBa3Ge tetrahedra.

Publication Date:
Other Number(s):
mp-28710
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; BaGe2S5; Ba-Ge-S
OSTI Identifier:
1202779
DOI:
10.17188/1202779

Citation Formats

The Materials Project. Materials Data on BaGe2S5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202779.
The Materials Project. Materials Data on BaGe2S5 by Materials Project. United States. doi:10.17188/1202779.
The Materials Project. 2020. "Materials Data on BaGe2S5 by Materials Project". United States. doi:10.17188/1202779. https://www.osti.gov/servlets/purl/1202779. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202779,
title = {Materials Data on BaGe2S5 by Materials Project},
author = {The Materials Project},
abstractNote = {BaGe2S5 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted hexagonal planar geometry to six equivalent S2- atoms. All Ba–S bond lengths are 3.31 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are one shorter (2.18 Å) and three longer (2.25 Å) Ge–S bond lengths. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the second S2- site, S2- is bonded to three equivalent Ba2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SBa3Ge tetrahedra.},
doi = {10.17188/1202779},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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