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Title: Materials Data on Er15Si9C by Materials Project

Abstract

Er15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four 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 2.98–3.04 Å. In the second Er site, Er is bonded in a 1-coordinate geometry to four Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.15 Å. The Er–C bond length is 2.44 Å. In the third Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.64 Å. The Er–C bond length is 2.44 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.91–3.53 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Er atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the third Si site, Si is bonded in a 9-coordinate geometrymore » to nine Er atoms. C is bonded in an octahedral geometry to six Er atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1196963
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; Er15Si9C; C-Er-Si
OSTI Identifier:
1751859
DOI:
https://doi.org/10.17188/1751859

Citation Formats

The Materials Project. Materials Data on Er15Si9C by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751859.
The Materials Project. Materials Data on Er15Si9C by Materials Project. United States. doi:https://doi.org/10.17188/1751859
The Materials Project. 2020. "Materials Data on Er15Si9C by Materials Project". United States. doi:https://doi.org/10.17188/1751859. https://www.osti.gov/servlets/purl/1751859. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751859,
title = {Materials Data on Er15Si9C by Materials Project},
author = {The Materials Project},
abstractNote = {Er15Si9C crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four 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 2.98–3.04 Å. In the second Er site, Er is bonded in a 1-coordinate geometry to four Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.15 Å. The Er–C bond length is 2.44 Å. In the third Er site, Er is bonded in a 1-coordinate geometry to five Si and one C atom. There are a spread of Er–Si bond distances ranging from 2.93–3.64 Å. The Er–C bond length is 2.44 Å. In the fourth Er site, Er is bonded in a 3-coordinate geometry to five Si atoms. There are a spread of Er–Si bond distances ranging from 2.91–3.53 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 8-coordinate geometry to eight Er atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. In the third Si site, Si is bonded in a 9-coordinate geometry to nine Er atoms. C is bonded in an octahedral geometry to six Er atoms.},
doi = {10.17188/1751859},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}