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Title: Materials Data on Cr3C2 by Materials Project

Abstract

Cr3C2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded to four C4- atoms to form corner-sharing CrC4 tetrahedra. There is two shorter (1.95 Å) and two longer (1.96 Å) Cr–C bond length. In the second Cr+2.67+ site, Cr+2.67+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Cr–C bond distances ranging from 1.99–2.41 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to eight Cr+2.67+ atoms. In the second C4- site, C4- is bonded to six Cr+2.67+ atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 56°.

Publication Date:
Other Number(s):
mp-570112
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; Cr3C2; C-Cr
OSTI Identifier:
1275524
DOI:
https://doi.org/10.17188/1275524

Citation Formats

The Materials Project. Materials Data on Cr3C2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1275524.
The Materials Project. Materials Data on Cr3C2 by Materials Project. United States. doi:https://doi.org/10.17188/1275524
The Materials Project. 2020. "Materials Data on Cr3C2 by Materials Project". United States. doi:https://doi.org/10.17188/1275524. https://www.osti.gov/servlets/purl/1275524. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1275524,
title = {Materials Data on Cr3C2 by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3C2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr+2.67+ sites. In the first Cr+2.67+ site, Cr+2.67+ is bonded to four C4- atoms to form corner-sharing CrC4 tetrahedra. There is two shorter (1.95 Å) and two longer (1.96 Å) Cr–C bond length. In the second Cr+2.67+ site, Cr+2.67+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Cr–C bond distances ranging from 1.99–2.41 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 6-coordinate geometry to eight Cr+2.67+ atoms. In the second C4- site, C4- is bonded to six Cr+2.67+ atoms to form a mixture of edge and corner-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 56°.},
doi = {10.17188/1275524},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}