U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on LaNdNi2 by Materials Project
Abstract
NdLaNi2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.97 Å) Nd–Ni bond lengths. In the second Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.99 Å) Nd–Ni bond lengths. In the third Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.99 Å) Nd–Ni bond lengths. There are two inequivalent La sites. In the first La site, La is bonded in a square co-planar geometry to eight Ni atoms. There are a spread of La–Ni bond distances ranging from 2.75–4.00 Å. In the second La site, La is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.76 Å) and four longer (3.98 Å) La–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Nd and four La atoms tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223354
- 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; LaNdNi2; La-Nd-Ni
- OSTI Identifier:
- 1717027
- DOI:
- https://doi.org/10.17188/1717027
Citation Formats
The Materials Project. Materials Data on LaNdNi2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717027.
The Materials Project. Materials Data on LaNdNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1717027
The Materials Project. 2019.
"Materials Data on LaNdNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1717027. https://www.osti.gov/servlets/purl/1717027. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717027,
title = {Materials Data on LaNdNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {NdLaNi2 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Nd sites. In the first Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.97 Å) Nd–Ni bond lengths. In the second Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.99 Å) Nd–Ni bond lengths. In the third Nd site, Nd is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.77 Å) and four longer (3.99 Å) Nd–Ni bond lengths. There are two inequivalent La sites. In the first La site, La is bonded in a square co-planar geometry to eight Ni atoms. There are a spread of La–Ni bond distances ranging from 2.75–4.00 Å. In the second La site, La is bonded in a square co-planar geometry to eight Ni atoms. There are four shorter (2.76 Å) and four longer (3.98 Å) La–Ni bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Nd and four La atoms to form distorted NiLa4Nd2 pentagonal pyramids that share corners with six NiLa4Nd2 pentagonal pyramids, edges with six equivalent NiLa6Nd6 cuboctahedra, edges with three NiLa4Nd2 pentagonal pyramids, faces with three equivalent NiLa6Nd6 cuboctahedra, and faces with two equivalent NiLa4Nd2 pentagonal pyramids. In the second Ni site, Ni is bonded to four Nd and two equivalent La atoms to form distorted NiLa2Nd4 pentagonal pyramids that share corners with six NiLa4Nd2 pentagonal pyramids, edges with six equivalent NiLa6Nd6 cuboctahedra, edges with three NiLa4Nd2 pentagonal pyramids, faces with three equivalent NiLa6Nd6 cuboctahedra, and faces with two equivalent NiLa2Nd4 pentagonal pyramids. In the third Ni site, Ni is bonded to six Nd and six La atoms to form NiLa6Nd6 cuboctahedra that share corners with twelve equivalent NiLa6Nd6 cuboctahedra, edges with six equivalent NiLa6Nd6 cuboctahedra, edges with twelve NiLa4Nd2 pentagonal pyramids, faces with two equivalent NiLa6Nd6 cuboctahedra, and faces with six NiLa4Nd2 pentagonal pyramids.},
doi = {10.17188/1717027},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}