U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on YNi5Ge3 by Materials Project
Abstract
YNi5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eleven Ni and six Ge atoms. There are a spread of Y–Ni bond distances ranging from 3.05–3.34 Å. There are four shorter (2.98 Å) and two longer (2.99 Å) Y–Ge bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one Y, three Ni, and five Ge atoms. There are one shorter (2.59 Å) and two longer (2.80 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.38–2.55 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to one Y, five Ni, and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.58 Å) Ni–Ni bond lengths. There are one shorter (2.34 Å) and three longer (2.39 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Y, two equivalent Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.37–2.46 Å. In the fourth Ni site, Ni is bonded in a 12-coordinatemore »
- Publication Date:
- Other Number(s):
- mp-21806
- 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; Ge-Ni-Y; YNi5Ge3; crystal structure
- OSTI Identifier:
- 1197174
- DOI:
- https://doi.org/10.17188/1197174
Citation Formats
Materials Data on YNi5Ge3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197174.
Materials Data on YNi5Ge3 by Materials Project. United States. doi:https://doi.org/10.17188/1197174
2020.
"Materials Data on YNi5Ge3 by Materials Project". United States. doi:https://doi.org/10.17188/1197174. https://www.osti.gov/servlets/purl/1197174. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1197174,
title = {Materials Data on YNi5Ge3 by Materials Project},
abstractNote = {YNi5Ge3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to eleven Ni and six Ge atoms. There are a spread of Y–Ni bond distances ranging from 3.05–3.34 Å. There are four shorter (2.98 Å) and two longer (2.99 Å) Y–Ge bond lengths. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 5-coordinate geometry to one Y, three Ni, and five Ge atoms. There are one shorter (2.59 Å) and two longer (2.80 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.38–2.55 Å. In the second Ni site, Ni is bonded in a 4-coordinate geometry to one Y, five Ni, and four Ge atoms. There are two shorter (2.56 Å) and two longer (2.58 Å) Ni–Ni bond lengths. There are one shorter (2.34 Å) and three longer (2.39 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Y, two equivalent Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.37–2.46 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Y, five Ni, and four Ge atoms. There are one shorter (2.62 Å) and two longer (2.74 Å) Ni–Ni bond lengths. There are a spread of Ni–Ge bond distances ranging from 2.40–2.44 Å. In the fifth Ni site, Ni is bonded in a 4-coordinate geometry to three equivalent Y, three equivalent Ni, and four Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.32–2.40 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Y and seven Ni atoms.},
doi = {10.17188/1197174},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}