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Title: Materials Data on LuMn2SiC by Materials Project

Abstract

LuMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.95 Å) and two longer (2.96 Å) Lu–Si bond lengths. All Lu–C bond lengths are 2.56 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.36 Å) and one longer (2.39 Å) Mn–Si bond lengths. The Mn–C bond length is 1.82 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Lu3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Lu3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CLu4Mn2 octahedra. The corner-sharing octahedral tilt angles are 20°.

Authors:
Publication Date:
Other Number(s):
mp-1205785
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; LuMn2SiC; C-Lu-Mn-Si
OSTI Identifier:
1684519
DOI:
https://doi.org/10.17188/1684519

Citation Formats

The Materials Project. Materials Data on LuMn2SiC by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1684519.
The Materials Project. Materials Data on LuMn2SiC by Materials Project. United States. doi:https://doi.org/10.17188/1684519
The Materials Project. 2019. "Materials Data on LuMn2SiC by Materials Project". United States. doi:https://doi.org/10.17188/1684519. https://www.osti.gov/servlets/purl/1684519. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1684519,
title = {Materials Data on LuMn2SiC by Materials Project},
author = {The Materials Project},
abstractNote = {LuMn2SiC crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Lu3+ is bonded in a 4-coordinate geometry to three equivalent Si4- and four equivalent C3- atoms. There are one shorter (2.95 Å) and two longer (2.96 Å) Lu–Si bond lengths. All Lu–C bond lengths are 2.56 Å. Mn2+ is bonded in a distorted single-bond geometry to three equivalent Si4- and one C3- atom. There are two shorter (2.36 Å) and one longer (2.39 Å) Mn–Si bond lengths. The Mn–C bond length is 1.82 Å. Si4- is bonded in a 9-coordinate geometry to three equivalent Lu3+ and six equivalent Mn2+ atoms. C3- is bonded to four equivalent Lu3+ and two equivalent Mn2+ atoms to form a mixture of edge and corner-sharing CLu4Mn2 octahedra. The corner-sharing octahedral tilt angles are 20°.},
doi = {10.17188/1684519},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}