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Title: Materials Data on LuSc3(MnSi)4 by Materials Project

Abstract

LuSc3(MnSi)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Lu–Si bond distances ranging from 2.84–2.87 Å. There are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.84 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are two shorter (2.75 Å) and three longer (2.80 Å) Sc–Si bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.50 Å. In the second Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.42–2.56 Å. In the third Mn site, Mn ismore » bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.42–2.62 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.43–2.62 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to one Lu, four Sc, and four Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms.« less

Publication Date:
Other Number(s):
mp-1222360
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; LuSc3(MnSi)4; Lu-Mn-Sc-Si
OSTI Identifier:
1685537
DOI:
https://doi.org/10.17188/1685537

Citation Formats

The Materials Project. Materials Data on LuSc3(MnSi)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685537.
The Materials Project. Materials Data on LuSc3(MnSi)4 by Materials Project. United States. doi:https://doi.org/10.17188/1685537
The Materials Project. 2020. "Materials Data on LuSc3(MnSi)4 by Materials Project". United States. doi:https://doi.org/10.17188/1685537. https://www.osti.gov/servlets/purl/1685537. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685537,
title = {Materials Data on LuSc3(MnSi)4 by Materials Project},
author = {The Materials Project},
abstractNote = {LuSc3(MnSi)4 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Lu is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Lu–Si bond distances ranging from 2.84–2.87 Å. There are three inequivalent Sc sites. In the first Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.84 Å. In the second Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Sc–Si bond distances ranging from 2.77–2.86 Å. In the third Sc site, Sc is bonded in a 5-coordinate geometry to five Si atoms. There are two shorter (2.75 Å) and three longer (2.80 Å) Sc–Si bond lengths. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.41–2.50 Å. In the second Mn site, Mn is bonded to four Si atoms to form distorted corner-sharing MnSi4 tetrahedra. There are a spread of Mn–Si bond distances ranging from 2.42–2.56 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.42–2.62 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Si atoms. There are a spread of Mn–Si bond distances ranging from 2.43–2.62 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to one Lu, four Sc, and four Mn atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to five Sc and four Mn atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to two equivalent Lu, three Sc, and four Mn atoms.},
doi = {10.17188/1685537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}