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Title: Materials Data on Eu2MgS4 by Materials Project

Abstract

MgEu2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five S2- atoms to form MgS5 square pyramids that share corners with four EuS6 octahedra, edges with four EuS6 octahedra, and edges with four equivalent MgS5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Mg–S bond distances ranging from 2.50–2.68 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 three equivalent EuS6 octahedra, corners with two equivalent MgS5 square pyramids, edges with six EuS6 octahedra, and an edgeedge with one MgS5 square pyramid. The corner-sharing octahedra tilt angles range from 58–59°. There are a spread of Eu–S bond distances ranging from 2.79–2.89 Å. In the second Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with three equivalent EuS6 octahedra, corners with two equivalent MgS5 square pyramids, edges with four EuS6 octahedra, and edges with three equivalent MgS5 square pyramids. The corner-sharing octahedra tilt angles range from 58–59°. There are a spread of Eu–S bond distances ranging from 2.76–2.93 Å. There are fourmore » inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Mg2+ and two equivalent Eu3+ atoms to form a mixture of corner and edge-sharing SEu2Mg3 square pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Eu3+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Eu3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Mg2+ and three Eu3+ atoms to form SEu3Mg2 square pyramids that share corners with two equivalent SEu2Mg3 square pyramids and edges with five SEu3Mg2 square pyramids.« less

Publication Date:
Other Number(s):
mp-1232035
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:
1744697
DOI:
https://doi.org/10.17188/1744697

Citation Formats

The Materials Project. Materials Data on Eu2MgS4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744697.
The Materials Project. Materials Data on Eu2MgS4 by Materials Project. United States. doi:https://doi.org/10.17188/1744697
The Materials Project. 2020. "Materials Data on Eu2MgS4 by Materials Project". United States. doi:https://doi.org/10.17188/1744697. https://www.osti.gov/servlets/purl/1744697. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1744697,
title = {Materials Data on Eu2MgS4 by Materials Project},
author = {The Materials Project},
abstractNote = {MgEu2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded to five S2- atoms to form MgS5 square pyramids that share corners with four EuS6 octahedra, edges with four EuS6 octahedra, and edges with four equivalent MgS5 square pyramids. The corner-sharing octahedral tilt angles are 5°. There are a spread of Mg–S bond distances ranging from 2.50–2.68 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 three equivalent EuS6 octahedra, corners with two equivalent MgS5 square pyramids, edges with six EuS6 octahedra, and an edgeedge with one MgS5 square pyramid. The corner-sharing octahedra tilt angles range from 58–59°. There are a spread of Eu–S bond distances ranging from 2.79–2.89 Å. In the second Eu3+ site, Eu3+ is bonded to six S2- atoms to form EuS6 octahedra that share corners with three equivalent EuS6 octahedra, corners with two equivalent MgS5 square pyramids, edges with four EuS6 octahedra, and edges with three equivalent MgS5 square pyramids. The corner-sharing octahedra tilt angles range from 58–59°. There are a spread of Eu–S bond distances ranging from 2.76–2.93 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to three equivalent Mg2+ and two equivalent Eu3+ atoms to form a mixture of corner and edge-sharing SEu2Mg3 square pyramids. In the second S2- site, S2- is bonded in a rectangular see-saw-like geometry to four Eu3+ atoms. In the third S2- site, S2- is bonded in a distorted T-shaped geometry to three Eu3+ atoms. In the fourth S2- site, S2- is bonded to two equivalent Mg2+ and three Eu3+ atoms to form SEu3Mg2 square pyramids that share corners with two equivalent SEu2Mg3 square pyramids and edges with five SEu3Mg2 square pyramids.},
doi = {10.17188/1744697},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}