U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PrIn2Ni9 by Materials Project
Abstract
PrNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.02 Å) and eight longer (3.28 Å) Pr–Ni bond lengths. All Pr–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiPr2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiPr2In3Ni7 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.47 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.82 Å. In the second Ni site, Ni is bonded to two equivalent Pr, eight Ni, and two equivalent In atoms to form distorted NiPr2In2Ni8 cuboctahedra that share corners with twenty NiIn4Ni8 cuboctahedra, edges with six NiPr2In3Ni7 cuboctahedra, and faces with nineteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.64 Å. Both Ni–In bond lengths are 2.83 Å. In the third Ni site, Ni is bonded to two equivalent Pr, seven Ni, and three equivalent In atoms to form NiPr2In3Ni7 cuboctahedra that sharemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191416
- 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; PrIn2Ni9; In-Ni-Pr
- OSTI Identifier:
- 1675470
- DOI:
- https://doi.org/10.17188/1675470
Citation Formats
The Materials Project. Materials Data on PrIn2Ni9 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1675470.
The Materials Project. Materials Data on PrIn2Ni9 by Materials Project. United States. doi:https://doi.org/10.17188/1675470
The Materials Project. 2019.
"Materials Data on PrIn2Ni9 by Materials Project". United States. doi:https://doi.org/10.17188/1675470. https://www.osti.gov/servlets/purl/1675470. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1675470,
title = {Materials Data on PrIn2Ni9 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.02 Å) and eight longer (3.28 Å) Pr–Ni bond lengths. All Pr–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiPr2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiPr2In3Ni7 cuboctahedra. There are four shorter (2.39 Å) and four longer (2.47 Å) Ni–Ni bond lengths. All Ni–In bond lengths are 2.82 Å. In the second Ni site, Ni is bonded to two equivalent Pr, eight Ni, and two equivalent In atoms to form distorted NiPr2In2Ni8 cuboctahedra that share corners with twenty NiIn4Ni8 cuboctahedra, edges with six NiPr2In3Ni7 cuboctahedra, and faces with nineteen NiIn4Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.48–2.64 Å. Both Ni–In bond lengths are 2.83 Å. In the third Ni site, Ni is bonded to two equivalent Pr, seven Ni, and three equivalent In atoms to form NiPr2In3Ni7 cuboctahedra that share corners with eighteen NiIn4Ni8 cuboctahedra, edges with nine NiPr2In2Ni8 cuboctahedra, and faces with twenty NiIn4Ni8 cuboctahedra. There are one shorter (2.41 Å) and one longer (2.43 Å) Ni–Ni bond lengths. There are one shorter (2.63 Å) and two longer (2.80 Å) Ni–In bond lengths. In is bonded in a 12-coordinate geometry to two equivalent Pr, twelve Ni, and one In atom. The In–In bond length is 2.91 Å.},
doi = {10.17188/1675470},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}