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Title: Materials Data on EuGeS3 by Materials Project

Abstract

EuGeS3 is Esseneite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.00–3.25 Å. In the second Eu2+ site, Eu2+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with six GeS4 tetrahedra and an edgeedge with one EuS6 octahedra. There are a spread of Eu–S bond distances ranging from 2.92–3.03 Å. In the third Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.24 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent EuS6 octahedra and corners with two GeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–71°. There are a spread of Ge–S bond distances ranging from 2.21–2.27 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one EuS6 octahedramore » and corners with two GeS4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of Ge–S bond distances ranging from 2.20–2.28 Å. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent EuS6 octahedra and corners with two GeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–64°. There are a spread of Ge–S bond distances ranging from 2.21–2.30 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded to three Eu2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SEu3Ge tetrahedra. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Eu2+ and one Ge4+ atom. In the seventh S2- site, S2- is bonded in a 3-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the ninth S2- site, S2- is bonded to three Eu2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SEu3Ge tetrahedra.« less

Publication Date:
Other Number(s):
mp-581575
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; EuGeS3; Eu-Ge-S
OSTI Identifier:
1276859
DOI:
https://doi.org/10.17188/1276859

Citation Formats

The Materials Project. Materials Data on EuGeS3 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1276859.
The Materials Project. Materials Data on EuGeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1276859
The Materials Project. 2017. "Materials Data on EuGeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1276859. https://www.osti.gov/servlets/purl/1276859. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1276859,
title = {Materials Data on EuGeS3 by Materials Project},
author = {The Materials Project},
abstractNote = {EuGeS3 is Esseneite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 3.00–3.25 Å. In the second Eu2+ site, Eu2+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with six GeS4 tetrahedra and an edgeedge with one EuS6 octahedra. There are a spread of Eu–S bond distances ranging from 2.92–3.03 Å. In the third Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Eu–S bond distances ranging from 2.97–3.24 Å. There are three inequivalent Ge4+ sites. In the first Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with two equivalent EuS6 octahedra and corners with two GeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 64–71°. There are a spread of Ge–S bond distances ranging from 2.21–2.27 Å. In the second Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share a cornercorner with one EuS6 octahedra and corners with two GeS4 tetrahedra. The corner-sharing octahedral tilt angles are 66°. There are a spread of Ge–S bond distances ranging from 2.20–2.28 Å. In the third Ge4+ site, Ge4+ is bonded to four S2- atoms to form GeS4 tetrahedra that share corners with three equivalent EuS6 octahedra and corners with two GeS4 tetrahedra. The corner-sharing octahedra tilt angles range from 58–64°. There are a spread of Ge–S bond distances ranging from 2.21–2.30 Å. There are nine inequivalent S2- sites. In the first S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the third S2- site, S2- is bonded in a 2-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the fourth S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the fifth S2- site, S2- is bonded to three Eu2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SEu3Ge tetrahedra. In the sixth S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to three Eu2+ and one Ge4+ atom. In the seventh S2- site, S2- is bonded in a 3-coordinate geometry to one Eu2+ and two Ge4+ atoms. In the eighth S2- site, S2- is bonded in a 4-coordinate geometry to three Eu2+ and one Ge4+ atom. In the ninth S2- site, S2- is bonded to three Eu2+ and one Ge4+ atom to form a mixture of distorted edge and corner-sharing SEu3Ge tetrahedra.},
doi = {10.17188/1276859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}