U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr3Co by Materials Project
Abstract
Cr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded to eight Cr and four equivalent Co atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent CoCr12 cuboctahedra, corners with fourteen CrCr8Co4 cuboctahedra, edges with six equivalent CoCr12 cuboctahedra, edges with twelve CrCr8Co4 cuboctahedra, faces with four equivalent CoCr12 cuboctahedra, and faces with sixteen CrCr8Co4 cuboctahedra. There are a spread of Cr–Cr bond distances ranging from 2.50–2.57 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Cr–Co bond lengths. In the second Cr site, Cr is bonded to eight Cr and four equivalent Co atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent CoCr12 cuboctahedra, corners with fourteen CrCr8Co4 cuboctahedra, edges with six equivalent CoCr12 cuboctahedra, edges with twelve CrCr8Co4 cuboctahedra, faces with four equivalent CoCr12 cuboctahedra, and faces with sixteen CrCr8Co4 cuboctahedra. There are a spread of Cr–Cr bond distances ranging from 2.50–2.57 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Cr–Co bond lengths. In the third Cr site, Cr is bonded to eight Cr and fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025503
- 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; Cr3Co; Co-Cr
- OSTI Identifier:
- 1355503
- DOI:
- https://doi.org/10.17188/1355503
Citation Formats
The Materials Project. Materials Data on Cr3Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355503.
The Materials Project. Materials Data on Cr3Co by Materials Project. United States. doi:https://doi.org/10.17188/1355503
The Materials Project. 2020.
"Materials Data on Cr3Co by Materials Project". United States. doi:https://doi.org/10.17188/1355503. https://www.osti.gov/servlets/purl/1355503. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1355503,
title = {Materials Data on Cr3Co by Materials Project},
author = {The Materials Project},
abstractNote = {Cr3Co is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded to eight Cr and four equivalent Co atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent CoCr12 cuboctahedra, corners with fourteen CrCr8Co4 cuboctahedra, edges with six equivalent CoCr12 cuboctahedra, edges with twelve CrCr8Co4 cuboctahedra, faces with four equivalent CoCr12 cuboctahedra, and faces with sixteen CrCr8Co4 cuboctahedra. There are a spread of Cr–Cr bond distances ranging from 2.50–2.57 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Cr–Co bond lengths. In the second Cr site, Cr is bonded to eight Cr and four equivalent Co atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent CoCr12 cuboctahedra, corners with fourteen CrCr8Co4 cuboctahedra, edges with six equivalent CoCr12 cuboctahedra, edges with twelve CrCr8Co4 cuboctahedra, faces with four equivalent CoCr12 cuboctahedra, and faces with sixteen CrCr8Co4 cuboctahedra. There are a spread of Cr–Cr bond distances ranging from 2.50–2.57 Å. There are two shorter (2.52 Å) and two longer (2.54 Å) Cr–Co bond lengths. In the third Cr site, Cr is bonded to eight Cr and four equivalent Co atoms to form CrCr8Co4 cuboctahedra that share corners with four equivalent CoCr12 cuboctahedra, corners with fourteen CrCr8Co4 cuboctahedra, edges with six equivalent CoCr12 cuboctahedra, edges with twelve CrCr8Co4 cuboctahedra, faces with four equivalent CoCr12 cuboctahedra, and faces with sixteen CrCr8Co4 cuboctahedra. There are two shorter (2.52 Å) and two longer (2.54 Å) Cr–Co bond lengths. Co is bonded to twelve Cr atoms to form CoCr12 cuboctahedra that share corners with six equivalent CoCr12 cuboctahedra, corners with twelve CrCr8Co4 cuboctahedra, edges with eighteen CrCr8Co4 cuboctahedra, faces with eight equivalent CoCr12 cuboctahedra, and faces with twelve CrCr8Co4 cuboctahedra.},
doi = {10.17188/1355503},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}