U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YMgNi4 by Materials Project
Abstract
MgYNi4 is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Y and twelve Ni atoms. There are one shorter (3.01 Å) and three longer (3.02 Å) Mg–Y bond lengths. There are a spread of Mg–Ni bond distances ranging from 2.87–2.93 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.88–2.91 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixture of corner, edge, and face-sharing NiY3Mg3Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.51 Å. In the second Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixture of corner, edge, and face-sharing NiY3Mg3Ni6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.48 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixturemore »
- Publication Date:
- Other Number(s):
- mp-3433
- 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; Mg-Ni-Y; YMgNi4; crystal structure
- OSTI Identifier:
- 1206769
- DOI:
- https://doi.org/10.17188/1206769
Citation Formats
Materials Data on YMgNi4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1206769.
Materials Data on YMgNi4 by Materials Project. United States. doi:https://doi.org/10.17188/1206769
2020.
"Materials Data on YMgNi4 by Materials Project". United States. doi:https://doi.org/10.17188/1206769. https://www.osti.gov/servlets/purl/1206769. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1206769,
title = {Materials Data on YMgNi4 by Materials Project},
abstractNote = {MgYNi4 is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to four equivalent Y and twelve Ni atoms. There are one shorter (3.01 Å) and three longer (3.02 Å) Mg–Y bond lengths. There are a spread of Mg–Ni bond distances ranging from 2.87–2.93 Å. Y is bonded in a 12-coordinate geometry to four equivalent Mg and twelve Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.88–2.91 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixture of corner, edge, and face-sharing NiY3Mg3Ni6 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.44–2.51 Å. In the second Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixture of corner, edge, and face-sharing NiY3Mg3Ni6 cuboctahedra. There are two shorter (2.44 Å) and two longer (2.48 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded to three equivalent Mg, three equivalent Y, and six Ni atoms to form a mixture of corner, edge, and face-sharing NiY3Mg3Ni6 cuboctahedra. There are one shorter (2.44 Å) and one longer (2.48 Å) Ni–Ni bond lengths.},
doi = {10.17188/1206769},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}