U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on InPd3 by Materials Project
Abstract
Pd3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.84 Å. All Pd–In bond lengths are 2.83 Å. In the third Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, facesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078721
- 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; InPd3; In-Pd
- OSTI Identifier:
- 1675780
- DOI:
- https://doi.org/10.17188/1675780
Citation Formats
The Materials Project. Materials Data on InPd3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675780.
The Materials Project. Materials Data on InPd3 by Materials Project. United States. doi:https://doi.org/10.17188/1675780
The Materials Project. 2020.
"Materials Data on InPd3 by Materials Project". United States. doi:https://doi.org/10.17188/1675780. https://www.osti.gov/servlets/purl/1675780. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1675780,
title = {Materials Data on InPd3 by Materials Project},
author = {The Materials Project},
abstractNote = {Pd3In is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are five inequivalent Pd sites. In the first Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In the second Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. All Pd–Pd bond lengths are 2.84 Å. All Pd–In bond lengths are 2.83 Å. In the third Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.82 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In the fourth Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form PdIn4Pd8 cuboctahedra that share corners with four equivalent InPd12 cuboctahedra, corners with eight equivalent PdIn4Pd8 cuboctahedra, edges with four equivalent InPd12 cuboctahedra, edges with twenty PdIn4Pd8 cuboctahedra, faces with five equivalent InPd12 cuboctahedra, and faces with thirteen PdIn4Pd8 cuboctahedra. All Pd–In bond lengths are 2.92 Å. In the fifth Pd site, Pd is bonded to eight Pd and four equivalent In atoms to form distorted PdIn4Pd8 cuboctahedra that share corners with twelve PdIn4Pd8 cuboctahedra, edges with eight equivalent InPd12 cuboctahedra, edges with sixteen PdIn4Pd8 cuboctahedra, faces with four equivalent InPd12 cuboctahedra, and faces with fourteen PdIn4Pd8 cuboctahedra. There are four shorter (2.84 Å) and four longer (2.92 Å) Pd–Pd bond lengths. All Pd–In bond lengths are 2.83 Å. In is bonded to twelve Pd atoms to form InPd12 cuboctahedra that share corners with four equivalent PdIn4Pd8 cuboctahedra, corners with eight equivalent InPd12 cuboctahedra, edges with four equivalent InPd12 cuboctahedra, edges with twenty PdIn4Pd8 cuboctahedra, faces with five equivalent InPd12 cuboctahedra, and faces with thirteen PdIn4Pd8 cuboctahedra.},
doi = {10.17188/1675780},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}