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Title: Materials Data on MgS2 by Materials Project

Abstract

MgS2 is Marcasite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to six S1- atoms to form edge-sharing MgS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.58–2.65 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom. The S–S bond length is 2.10 Å. In the second S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom.

Publication Date:
Other Number(s):
mp-1185953
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; MgS2; Mg-S
OSTI Identifier:
1716930
DOI:
https://doi.org/10.17188/1716930

Citation Formats

The Materials Project. Materials Data on MgS2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1716930.
The Materials Project. Materials Data on MgS2 by Materials Project. United States. doi:https://doi.org/10.17188/1716930
The Materials Project. 2020. "Materials Data on MgS2 by Materials Project". United States. doi:https://doi.org/10.17188/1716930. https://www.osti.gov/servlets/purl/1716930. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1716930,
title = {Materials Data on MgS2 by Materials Project},
author = {The Materials Project},
abstractNote = {MgS2 is Marcasite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to six S1- atoms to form edge-sharing MgS6 octahedra. There are a spread of Mg–S bond distances ranging from 2.58–2.65 Å. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom. The S–S bond length is 2.10 Å. In the second S1- site, S1- is bonded in a 4-coordinate geometry to three equivalent Mg2+ and one S1- atom.},
doi = {10.17188/1716930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}