U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NpNi5 by Materials Project
Abstract
NpNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Np is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.79 Å) and twelve longer (3.12 Å) Np–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Np and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiNp4Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to three equivalent Np and nine Ni atoms to form distorted NiNp3Ni9 cuboctahedra that share corners with twenty-one NiNp4Ni8 cuboctahedra, edges with six equivalent NiNp3Ni9 cuboctahedra, and faces with twenty-three NiNp4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.79 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025137
- 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; NpNi5; Ni-Np
- OSTI Identifier:
- 1355627
- DOI:
- https://doi.org/10.17188/1355627
Citation Formats
The Materials Project. Materials Data on NpNi5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355627.
The Materials Project. Materials Data on NpNi5 by Materials Project. United States. doi:https://doi.org/10.17188/1355627
The Materials Project. 2020.
"Materials Data on NpNi5 by Materials Project". United States. doi:https://doi.org/10.17188/1355627. https://www.osti.gov/servlets/purl/1355627. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1355627,
title = {Materials Data on NpNi5 by Materials Project},
author = {The Materials Project},
abstractNote = {NpNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Np is bonded in a distorted hexagonal planar geometry to eighteen Ni atoms. There are six shorter (2.79 Å) and twelve longer (3.12 Å) Np–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Np and eight Ni atoms to form a mixture of edge, face, and corner-sharing NiNp4Ni8 cuboctahedra. There are four shorter (2.41 Å) and four longer (2.42 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to three equivalent Np and nine Ni atoms to form distorted NiNp3Ni9 cuboctahedra that share corners with twenty-one NiNp4Ni8 cuboctahedra, edges with six equivalent NiNp3Ni9 cuboctahedra, and faces with twenty-three NiNp4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.79 Å.},
doi = {10.17188/1355627},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}