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

Title: Materials Data on Eu2Ga2GeS7 by Materials Project

Abstract

Eu2Ga2GeS7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.90–3.45 Å. Ga3+ is bonded to four S2- atoms to form distorted GaS4 trigonal pyramids that share corners with two equivalent GeS4 tetrahedra and a cornercorner with one GaS4 trigonal pyramid. There are a spread of Ga–S bond distances ranging from 2.20–2.35 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent GaS4 trigonal pyramids. All Ge–S bond lengths are 2.25 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Eu2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SEu3Ga tetrahedra. In the second S2- site, S2- is bonded to two equivalent Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SEu2Ga2 tetrahedra. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Eu2+, one Ga3+, and one Ge4+ atom.

Publication Date:
Other Number(s):
mp-1192354
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; Eu2Ga2GeS7; Eu-Ga-Ge-S
OSTI Identifier:
1722353
DOI:
https://doi.org/10.17188/1722353

Citation Formats

The Materials Project. Materials Data on Eu2Ga2GeS7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722353.
The Materials Project. Materials Data on Eu2Ga2GeS7 by Materials Project. United States. doi:https://doi.org/10.17188/1722353
The Materials Project. 2020. "Materials Data on Eu2Ga2GeS7 by Materials Project". United States. doi:https://doi.org/10.17188/1722353. https://www.osti.gov/servlets/purl/1722353. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722353,
title = {Materials Data on Eu2Ga2GeS7 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu2Ga2GeS7 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.90–3.45 Å. Ga3+ is bonded to four S2- atoms to form distorted GaS4 trigonal pyramids that share corners with two equivalent GeS4 tetrahedra and a cornercorner with one GaS4 trigonal pyramid. There are a spread of Ga–S bond distances ranging from 2.20–2.35 Å. Ge4+ is bonded to four equivalent S2- atoms to form GeS4 tetrahedra that share corners with four equivalent GaS4 trigonal pyramids. All Ge–S bond lengths are 2.25 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Eu2+ and one Ga3+ atom to form a mixture of distorted edge and corner-sharing SEu3Ga tetrahedra. In the second S2- site, S2- is bonded to two equivalent Eu2+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing SEu2Ga2 tetrahedra. In the third S2- site, S2- is bonded in a 4-coordinate geometry to two equivalent Eu2+, one Ga3+, and one Ge4+ atom.},
doi = {10.17188/1722353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}