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

Title: Materials Data on SmMn2SiC by Materials Project

Abstract

SmMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.98 Å) and two longer (3.02 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.63 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.42 Å) and one longer (2.44 Å) Mn–Si bond lengths. The Mn–C bond length is 1.84 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Sm3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CSm4Mn2 octahedra. The corner-sharing octahedral tilt angles are 21°.

Authors:
Publication Date:
Other Number(s):
mp-1205608
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SmMn2SiC; C-Mn-Si-Sm
OSTI Identifier:
1662687
DOI:
https://doi.org/10.17188/1662687

Citation Formats

The Materials Project. Materials Data on SmMn2SiC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662687.
The Materials Project. Materials Data on SmMn2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1662687
The Materials Project. 2020. "Materials Data on SmMn2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1662687. https://www.osti.gov/servlets/purl/1662687. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1662687,
title = {Materials Data on SmMn2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {SmMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sm3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.98 Å) and two longer (3.02 Å) Sm–Si bond lengths. All Sm–C bond lengths are 2.63 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.42 Å) and one longer (2.44 Å) Mn–Si bond lengths. The Mn–C bond length is 1.84 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Sm3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Sm3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CSm4Mn2 octahedra. The corner-sharing octahedral tilt angles are 21°.},
doi = {10.17188/1662687},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}