U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyGa3Ni2 by Materials Project
Abstract
DyNi2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Ga atoms. All Dy–Ni bond lengths are 3.10 Å. There are six shorter (3.20 Å) and six longer (3.30 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni and twelve equivalent Ga atoms. All Dy–Ni bond lengths are 2.86 Å. All Dy–Ga bond lengths are 3.32 Å. Ni is bonded in a 9-coordinate geometry to three Dy and six Ga atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, four equivalent Ni, and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Dy, four equivalent Ni, and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy4Ga4Ni4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-542992
- 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; DyGa3Ni2; Dy-Ga-Ni
- OSTI Identifier:
- 1266867
- DOI:
- https://doi.org/10.17188/1266867
Citation Formats
The Materials Project. Materials Data on DyGa3Ni2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1266867.
The Materials Project. Materials Data on DyGa3Ni2 by Materials Project. United States. doi:https://doi.org/10.17188/1266867
The Materials Project. 2020.
"Materials Data on DyGa3Ni2 by Materials Project". United States. doi:https://doi.org/10.17188/1266867. https://www.osti.gov/servlets/purl/1266867. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266867,
title = {Materials Data on DyGa3Ni2 by Materials Project},
author = {The Materials Project},
abstractNote = {DyNi2Ga3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Ga atoms. All Dy–Ni bond lengths are 3.10 Å. There are six shorter (3.20 Å) and six longer (3.30 Å) Dy–Ga bond lengths. In the second Dy site, Dy is bonded in a distorted hexagonal planar geometry to six equivalent Ni and twelve equivalent Ga atoms. All Dy–Ni bond lengths are 2.86 Å. All Dy–Ga bond lengths are 3.32 Å. Ni is bonded in a 9-coordinate geometry to three Dy and six Ga atoms. There are two shorter (2.48 Å) and four longer (2.49 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 12-coordinate geometry to four Dy, four equivalent Ni, and four Ga atoms. There are two shorter (2.63 Å) and two longer (2.76 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Dy, four equivalent Ni, and four equivalent Ga atoms to form a mixture of distorted face and corner-sharing GaDy4Ga4Ni4 cuboctahedra.},
doi = {10.17188/1266867},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}