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

Title: Materials Data on MnSi(AgSe2)2 by Materials Project

Abstract

MnSi(AgSe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SiSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Mn–Se bond distances ranging from 2.50–2.59 Å. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra, corners with four equivalent AgSe4 tetrahedra, and corners with four equivalent SiSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.64–2.70 Å. Si4+ is bonded to four Se2- atoms to form SiSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.30–2.33 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing SeMnSiAg2 tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing SeMnSiAg2 tetrahedra. In the third Se2- site, Se2- is bonded to one Mn2+, twomore » equivalent Ag1+, and one Si4+ atom to form distorted corner-sharing SeMnSiAg2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-1210646
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; MnSi(AgSe2)2; Ag-Mn-Se-Si
OSTI Identifier:
1677136
DOI:
https://doi.org/10.17188/1677136

Citation Formats

The Materials Project. Materials Data on MnSi(AgSe2)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1677136.
The Materials Project. Materials Data on MnSi(AgSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1677136
The Materials Project. 2019. "Materials Data on MnSi(AgSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1677136. https://www.osti.gov/servlets/purl/1677136. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1677136,
title = {Materials Data on MnSi(AgSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSi(AgSe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four Se2- atoms to form MnSe4 tetrahedra that share corners with four equivalent SiSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Mn–Se bond distances ranging from 2.50–2.59 Å. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra, corners with four equivalent AgSe4 tetrahedra, and corners with four equivalent SiSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.64–2.70 Å. Si4+ is bonded to four Se2- atoms to form SiSe4 tetrahedra that share corners with four equivalent MnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Si–Se bond distances ranging from 2.30–2.33 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing SeMnSiAg2 tetrahedra. In the second Se2- site, Se2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing SeMnSiAg2 tetrahedra. In the third Se2- site, Se2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form distorted corner-sharing SeMnSiAg2 tetrahedra.},
doi = {10.17188/1677136},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}