U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on DyIn2Ni9 by Materials Project
Abstract
DyNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (2.99 Å) and eight longer (3.26 Å) Dy–Ni bond lengths. All Dy–In bond lengths are 3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Dy, seven Ni, and three equivalent In atoms to form distorted NiDy2In3Ni7 cuboctahedra that share corners with eighteen NiDy2In3Ni7 cuboctahedra, edges with nine NiDy2In2Ni8 cuboctahedra, and faces with twenty NiDy2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.52 Å. There are one shorter (2.59 Å) and two longer (2.79 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent In atoms to form a mixture of distorted face, edge, and corner-sharing NiDy2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.68 Å. Both Ni–In bond lengths are 2.82 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiDy2In2Ni8 cuboctahedra, edgesmore »
- Publication Date:
- Other Number(s):
- mp-1191362
- 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; crystal structure; Dy-In-Ni; DyIn2Ni9
- OSTI Identifier:
- 1698408
- DOI:
- https://doi.org/10.17188/1698408
Citation Formats
Materials Data on DyIn2Ni9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1698408.
Materials Data on DyIn2Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1698408
2019.
"Materials Data on DyIn2Ni9 by Materials Project". United States. doi:https://doi.org/10.17188/1698408. https://www.osti.gov/servlets/purl/1698408. Pub date:Thu Jan 10 19:00:00 EST 2019
@article{osti_1698408,
title = {Materials Data on DyIn2Ni9 by Materials Project},
abstractNote = {DyNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (2.99 Å) and eight longer (3.26 Å) Dy–Ni bond lengths. All Dy–In bond lengths are 3.25 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Dy, seven Ni, and three equivalent In atoms to form distorted NiDy2In3Ni7 cuboctahedra that share corners with eighteen NiDy2In3Ni7 cuboctahedra, edges with nine NiDy2In2Ni8 cuboctahedra, and faces with twenty NiDy2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.39–2.52 Å. There are one shorter (2.59 Å) and two longer (2.79 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Dy, eight Ni, and two equivalent In atoms to form a mixture of distorted face, edge, and corner-sharing NiDy2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.68 Å. Both Ni–In bond lengths are 2.82 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiDy2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiDy2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.82 Å. In is bonded in a 12-coordinate geometry to two equivalent Dy, twelve Ni, and one In atom. The In–In bond length is 2.93 Å.},
doi = {10.17188/1698408},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}