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Title: Materials Data on LuSiAg by Materials Project

Abstract

LuAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing LuSi5 square pyramids. All Lu–Si bond lengths are 2.93 Å. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.66 Å) and two longer (2.70 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Lu3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Lu3+ and six equivalent Ag1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1079794
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; LuSiAg; Ag-Lu-Si
OSTI Identifier:
1663112
DOI:
https://doi.org/10.17188/1663112

Citation Formats

The Materials Project. Materials Data on LuSiAg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663112.
The Materials Project. Materials Data on LuSiAg by Materials Project. United States. doi:https://doi.org/10.17188/1663112
The Materials Project. 2020. "Materials Data on LuSiAg by Materials Project". United States. doi:https://doi.org/10.17188/1663112. https://www.osti.gov/servlets/purl/1663112. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1663112,
title = {Materials Data on LuSiAg by Materials Project},
author = {The Materials Project},
abstractNote = {LuAgSi crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Lu3+ is bonded to five Si4- atoms to form a mixture of distorted edge and corner-sharing LuSi5 square pyramids. All Lu–Si bond lengths are 2.93 Å. Ag1+ is bonded in a 4-coordinate geometry to four Si4- atoms. There are two shorter (2.66 Å) and two longer (2.70 Å) Ag–Si bond lengths. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to six equivalent Lu3+ and three equivalent Ag1+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to three equivalent Lu3+ and six equivalent Ag1+ atoms.},
doi = {10.17188/1663112},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}