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Title: Materials Data on Er2Co3Si5 by Materials Project

Abstract

Er2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Er–Si bond distances ranging from 2.81–3.07 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.33 Å) and two longer (2.56 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.24–2.31 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Co2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Er3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.76 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Er3+, three Co2+, and two equivalent Si+2.40- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1190062
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; Er2Co3Si5; Co-Er-Si
OSTI Identifier:
1732927
DOI:
https://doi.org/10.17188/1732927

Citation Formats

The Materials Project. Materials Data on Er2Co3Si5 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1732927.
The Materials Project. Materials Data on Er2Co3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1732927
The Materials Project. 2019. "Materials Data on Er2Co3Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1732927. https://www.osti.gov/servlets/purl/1732927. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1732927,
title = {Materials Data on Er2Co3Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Er2Co3Si5 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. Er3+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Er–Si bond distances ranging from 2.81–3.07 Å. There are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded in a distorted hexagonal planar geometry to six Si+2.40- atoms. There are four shorter (2.33 Å) and two longer (2.56 Å) Co–Si bond lengths. In the second Co2+ site, Co2+ is bonded in a 5-coordinate geometry to five Si+2.40- atoms. There are a spread of Co–Si bond distances ranging from 2.24–2.31 Å. There are three inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 8-coordinate geometry to four equivalent Er3+ and four equivalent Co2+ atoms. In the second Si+2.40- site, Si+2.40- is bonded in a 2-coordinate geometry to four equivalent Er3+, three Co2+, and four Si+2.40- atoms. There are two shorter (2.48 Å) and two longer (2.76 Å) Si–Si bond lengths. In the third Si+2.40- site, Si+2.40- is bonded in a 9-coordinate geometry to four equivalent Er3+, three Co2+, and two equivalent Si+2.40- atoms.},
doi = {10.17188/1732927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}