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Title: Materials Data on Eu2MgS4 by Materials Project

Abstract

MgEu2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with six EuS6 octahedra and edges with three EuS6 octahedra. The corner-sharing octahedra tilt angles range from 59–65°. There are a spread of Mg–S bond distances ranging from 2.40–2.49 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with four equivalent EuS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four EuS6 octahedra, and edges with two equivalent MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Eu–S bond distances ranging from 2.79–2.86 Å. In the second Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with eight EuS6 octahedra, corners with four equivalent MgS4 tetrahedra, edges with two equivalent EuS6 octahedra, and an edgeedge with one MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Eu–S bond distances ranging from 2.81–2.89 Å. There are three inequivalent S2- sites. In the first S2-more » site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the third S2- site, S2- is bonded to one Mg2+ and three Eu3+ atoms to form distorted corner-sharing SEu3Mg trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-1232046
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; Eu2MgS4; Eu-Mg-S
OSTI Identifier:
1656242
DOI:
https://doi.org/10.17188/1656242

Citation Formats

The Materials Project. Materials Data on Eu2MgS4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1656242.
The Materials Project. Materials Data on Eu2MgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1656242
The Materials Project. 2019. "Materials Data on Eu2MgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1656242. https://www.osti.gov/servlets/purl/1656242. Pub date:Wed Jan 16 00:00:00 EST 2019
@article{osti_1656242,
title = {Materials Data on Eu2MgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgEu2S4 is Spinel-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to four S2- atoms to form MgS4 tetrahedra that share corners with six EuS6 octahedra and edges with three EuS6 octahedra. The corner-sharing octahedra tilt angles range from 59–65°. There are a spread of Mg–S bond distances ranging from 2.40–2.49 Å. There are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with four equivalent EuS6 octahedra, corners with two equivalent MgS4 tetrahedra, edges with four EuS6 octahedra, and edges with two equivalent MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 52–56°. There are a spread of Eu–S bond distances ranging from 2.79–2.86 Å. In the second Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with eight EuS6 octahedra, corners with four equivalent MgS4 tetrahedra, edges with two equivalent EuS6 octahedra, and an edgeedge with one MgS4 tetrahedra. The corner-sharing octahedra tilt angles range from 48–56°. There are a spread of Eu–S bond distances ranging from 2.81–2.89 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to one Mg2+ and three Eu3+ atoms. In the third S2- site, S2- is bonded to one Mg2+ and three Eu3+ atoms to form distorted corner-sharing SEu3Mg trigonal pyramids.},
doi = {10.17188/1656242},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}