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Title: Materials Data on Er5Si4 by Materials Project

Abstract

Er5Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.82–2.99 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.81–2.98 Å. In the third Er site, Er is bonded to six Si atoms to form a mixture of distorted edge, face, and corner-sharing ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Er–Si bond distances ranging from 2.97–3.11 Å. In the fourth Er site, Er is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Er–Si bond distances ranging from 2.93–3.40 Å. In the fifth Er site, Er is bonded to six Si atoms to form a mixture of distorted face and corner-sharing ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 42–55°. There are a spread of Er–Si bond distances ranging from 2.89–3.17 Å. There are four inequivalent Si sites. In the first Si site,more » Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.56 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Er and one Si atom. The Si–Si bond length is 2.46 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Er atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom.« less

Publication Date:
Other Number(s):
mp-775
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; Er5Si4; Er-Si
OSTI Identifier:
1302708
DOI:
10.17188/1302708

Citation Formats

The Materials Project. Materials Data on Er5Si4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302708.
The Materials Project. Materials Data on Er5Si4 by Materials Project. United States. doi:10.17188/1302708.
The Materials Project. 2020. "Materials Data on Er5Si4 by Materials Project". United States. doi:10.17188/1302708. https://www.osti.gov/servlets/purl/1302708. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1302708,
title = {Materials Data on Er5Si4 by Materials Project},
author = {The Materials Project},
abstractNote = {Er5Si4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.82–2.99 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of Er–Si bond distances ranging from 2.81–2.98 Å. In the third Er site, Er is bonded to six Si atoms to form a mixture of distorted edge, face, and corner-sharing ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Er–Si bond distances ranging from 2.97–3.11 Å. In the fourth Er site, Er is bonded in a 7-coordinate geometry to seven Si atoms. There are a spread of Er–Si bond distances ranging from 2.93–3.40 Å. In the fifth Er site, Er is bonded to six Si atoms to form a mixture of distorted face and corner-sharing ErSi6 octahedra. The corner-sharing octahedra tilt angles range from 42–55°. There are a spread of Er–Si bond distances ranging from 2.89–3.17 Å. There are four inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom. The Si–Si bond length is 2.56 Å. In the second Si site, Si is bonded in a 8-coordinate geometry to seven Er and one Si atom. The Si–Si bond length is 2.46 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Er atoms. In the fourth Si site, Si is bonded in a 9-coordinate geometry to eight Er and one Si atom.},
doi = {10.17188/1302708},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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