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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-775
- 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; Er5Si4; Er-Si
- OSTI Identifier:
- 1302708
- DOI:
- https://doi.org/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:https://doi.org/10.17188/1302708
The Materials Project. 2020.
"Materials Data on Er5Si4 by Materials Project". United States. doi:https://doi.org/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 = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}