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Title: Materials Data on Cr3GeC by Materials Project

Abstract

GeCCr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted L-shaped geometry to three equivalent Ge and two equivalent C atoms. All Cr–Ge bond lengths are 2.54 Å. Both Cr–C bond lengths are 1.96 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent C atoms. Both Cr–Ge bond lengths are 2.58 Å. Both Cr–C bond lengths are 1.94 Å. Ge is bonded in a 8-coordinate geometry to eight Cr atoms. C is bonded to six Cr atoms to form a mixture of corner and edge-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 19°.

Authors:
Publication Date:
Other Number(s):
mp-29804
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; Cr3GeC; C-Cr-Ge
OSTI Identifier:
1204259
DOI:
https://doi.org/10.17188/1204259

Citation Formats

The Materials Project. Materials Data on Cr3GeC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204259.
The Materials Project. Materials Data on Cr3GeC by Materials Project. United States. doi:https://doi.org/10.17188/1204259
The Materials Project. 2020. "Materials Data on Cr3GeC by Materials Project". United States. doi:https://doi.org/10.17188/1204259. https://www.osti.gov/servlets/purl/1204259. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204259,
title = {Materials Data on Cr3GeC by Materials Project},
author = {The Materials Project},
abstractNote = {GeCCr3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a distorted L-shaped geometry to three equivalent Ge and two equivalent C atoms. All Cr–Ge bond lengths are 2.54 Å. Both Cr–C bond lengths are 1.96 Å. In the second Cr site, Cr is bonded in a distorted bent 150 degrees geometry to two equivalent Ge and two equivalent C atoms. Both Cr–Ge bond lengths are 2.58 Å. Both Cr–C bond lengths are 1.94 Å. Ge is bonded in a 8-coordinate geometry to eight Cr atoms. C is bonded to six Cr atoms to form a mixture of corner and edge-sharing CCr6 octahedra. The corner-sharing octahedral tilt angles are 19°.},
doi = {10.17188/1204259},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}