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Title: Materials Data on Cr3Si5 by Materials Project

Abstract

Cr3Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Cr–Si bond distances ranging from 2.41–2.68 Å. In the second Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to two equivalent Cr4+ and eight equivalent Si+2.40- atoms. Both Cr–Cr bond lengths are 2.35 Å. All Cr–Si bond lengths are 2.56 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Cr4+ and ten Si+2.40- atoms. There are two shorter (2.35 Å) and eight longer (2.80 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to six Cr4+ and five Si+2.40- atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Si–Si bond lengths.

Publication Date:
Other Number(s):
mp-1105936
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; Cr3Si5; Cr-Si
OSTI Identifier:
1662488
DOI:
https://doi.org/10.17188/1662488

Citation Formats

The Materials Project. Materials Data on Cr3Si5 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1662488.
The Materials Project. Materials Data on Cr3Si5 by Materials Project. United States. doi:https://doi.org/10.17188/1662488
The Materials Project. 2018. "Materials Data on Cr3Si5 by Materials Project". United States. doi:https://doi.org/10.17188/1662488. https://www.osti.gov/servlets/purl/1662488. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1662488,
title = {Materials Data on Cr3Si5 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3Si5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Cr4+ sites. In the first Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to ten Si+2.40- atoms. There are a spread of Cr–Si bond distances ranging from 2.41–2.68 Å. In the second Cr4+ site, Cr4+ is bonded in a 10-coordinate geometry to two equivalent Cr4+ and eight equivalent Si+2.40- atoms. Both Cr–Cr bond lengths are 2.35 Å. All Cr–Si bond lengths are 2.56 Å. There are two inequivalent Si+2.40- sites. In the first Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to four equivalent Cr4+ and ten Si+2.40- atoms. There are two shorter (2.35 Å) and eight longer (2.80 Å) Si–Si bond lengths. In the second Si+2.40- site, Si+2.40- is bonded in a 6-coordinate geometry to six Cr4+ and five Si+2.40- atoms. There are one shorter (2.56 Å) and two longer (2.69 Å) Si–Si bond lengths.},
doi = {10.17188/1662488},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}