U.S. Department of EnergyOffice of Scientific and Technical Information
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
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Co-H-La; LaCo5H4; crystal structure
- OSTI Identifier:
- 1682653
- DOI:
- https://doi.org/10.17188/1682653
Citation Formats
Materials Data on LaCo5H4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682653.
Materials Data on LaCo5H4 by Materials Project. United States. doi:https://doi.org/10.17188/1682653
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},
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}
}