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Title: Materials Data on Co4H by Materials Project

Abstract

Co4H crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three equivalent Co and three equivalent H atoms. All Co–Co bond lengths are 2.47 Å. All Co–H bond lengths are 1.83 Å. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with three equivalent HCo6 octahedra, edges with twelve equivalent CoCo12 cuboctahedra, edges with three equivalent HCo6 octahedra, and faces with twelve equivalent CoCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There are three shorter (2.47 Å) and six longer (2.53 Å) Co–Co bond lengths. H is bonded to six equivalent Co atoms to form HCo6 octahedra that share corners with six equivalent CoCo12 cuboctahedra, edges with six equivalent CoCo12 cuboctahedra, and edges with six equivalent HCo6 octahedra.

Authors:
Publication Date:
Other Number(s):
mp-1226072
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; Co4H; Co-H
OSTI Identifier:
1683592
DOI:
https://doi.org/10.17188/1683592

Citation Formats

The Materials Project. Materials Data on Co4H by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683592.
The Materials Project. Materials Data on Co4H by Materials Project. United States. doi:https://doi.org/10.17188/1683592
The Materials Project. 2020. "Materials Data on Co4H by Materials Project". United States. doi:https://doi.org/10.17188/1683592. https://www.osti.gov/servlets/purl/1683592. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683592,
title = {Materials Data on Co4H by Materials Project},
author = {The Materials Project},
abstractNote = {Co4H crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 3-coordinate geometry to three equivalent Co and three equivalent H atoms. All Co–Co bond lengths are 2.47 Å. All Co–H bond lengths are 1.83 Å. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with three equivalent HCo6 octahedra, edges with twelve equivalent CoCo12 cuboctahedra, edges with three equivalent HCo6 octahedra, and faces with twelve equivalent CoCo12 cuboctahedra. The corner-sharing octahedral tilt angles are 17°. There are three shorter (2.47 Å) and six longer (2.53 Å) Co–Co bond lengths. H is bonded to six equivalent Co atoms to form HCo6 octahedra that share corners with six equivalent CoCo12 cuboctahedra, edges with six equivalent CoCo12 cuboctahedra, and edges with six equivalent HCo6 octahedra.},
doi = {10.17188/1683592},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}