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Title: Materials Data on LaCo5H4 by Materials Project

Abstract

LaCo5H4 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight H atoms. There are a spread of La–H bond distances ranging from 2.42–2.61 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.60 Å. In the second Co site, Co is bonded in a T-shaped geometry to two equivalent Co and three H atoms. There is two shorter (1.64 Å) and one longer (1.75 Å) Co–H bond length. In the third Co site, Co is bonded in a water-like geometry to two equivalent Co and two equivalent H atoms. Both Co–H bond lengths are 1.72 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 3-coordinate geometry to two equivalent La and three Co atoms. In the second H site, H is bonded to two equivalent La and two equivalent Co atoms to form a mixture of edge and corner-sharing HLa2Co2 tetrahedra.

Publication Date:
Other Number(s):
mp-1080584
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; LaCo5H4; Co-H-La
OSTI Identifier:
1682653
DOI:
https://doi.org/10.17188/1682653

Citation Formats

The Materials Project. Materials Data on LaCo5H4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1682653.
The Materials Project. Materials Data on LaCo5H4 by Materials Project. United States. doi:https://doi.org/10.17188/1682653
The Materials Project. 2020. "Materials Data on LaCo5H4 by Materials Project". United States. doi:https://doi.org/10.17188/1682653. https://www.osti.gov/servlets/purl/1682653. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1682653,
title = {Materials Data on LaCo5H4 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCo5H4 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to eight H atoms. There are a spread of La–H bond distances ranging from 2.42–2.61 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to eight Co atoms. There are a spread of Co–Co bond distances ranging from 2.37–2.60 Å. In the second Co site, Co is bonded in a T-shaped geometry to two equivalent Co and three H atoms. There is two shorter (1.64 Å) and one longer (1.75 Å) Co–H bond length. In the third Co site, Co is bonded in a water-like geometry to two equivalent Co and two equivalent H atoms. Both Co–H bond lengths are 1.72 Å. There are two inequivalent H sites. In the first H site, H is bonded in a 3-coordinate geometry to two equivalent La and three Co atoms. In the second H site, H is bonded to two equivalent La and two equivalent Co atoms to form a mixture of edge and corner-sharing HLa2Co2 tetrahedra.},
doi = {10.17188/1682653},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}