U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NpGa5Co by Materials Project
Abstract
NpCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Ga atoms to form NpGa12 cuboctahedra that share corners with four equivalent NpGa12 cuboctahedra, faces with four equivalent NpGa12 cuboctahedra, and faces with four equivalent GaNp4Ga8 cuboctahedra. There are eight shorter (2.94 Å) and four longer (2.98 Å) Np–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.98 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are two shorter (2.94 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are one shorter (2.61 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1025325
- 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; NpGa5Co; Co-Ga-Np
- OSTI Identifier:
- 1355555
- DOI:
- https://doi.org/10.17188/1355555
Citation Formats
The Materials Project. Materials Data on NpGa5Co by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355555.
The Materials Project. Materials Data on NpGa5Co by Materials Project. United States. doi:https://doi.org/10.17188/1355555
The Materials Project. 2020.
"Materials Data on NpGa5Co by Materials Project". United States. doi:https://doi.org/10.17188/1355555. https://www.osti.gov/servlets/purl/1355555. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1355555,
title = {Materials Data on NpGa5Co by Materials Project},
author = {The Materials Project},
abstractNote = {NpCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Np is bonded to twelve Ga atoms to form NpGa12 cuboctahedra that share corners with four equivalent NpGa12 cuboctahedra, faces with four equivalent NpGa12 cuboctahedra, and faces with four equivalent GaNp4Ga8 cuboctahedra. There are eight shorter (2.94 Å) and four longer (2.98 Å) Np–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.98 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are two shorter (2.94 Å) and four longer (2.98 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. There are one shorter (2.61 Å) and two longer (2.94 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Np, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.94 Å. In the fifth Ga site, Ga is bonded to four equivalent Np and eight Ga atoms to form GaNp4Ga8 cuboctahedra that share corners with four equivalent GaNp4Ga8 cuboctahedra, faces with four equivalent NpGa12 cuboctahedra, and faces with four equivalent GaNp4Ga8 cuboctahedra.},
doi = {10.17188/1355555},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}