U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CrPd by Materials Project
Abstract
PdCr crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Cr and six equivalent Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with twelve CrCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, edges with twelve equivalent PdCr6Pd6 cuboctahedra, faces with six equivalent CrCr6Pd6 cuboctahedra, and faces with twelve equivalent PdCr6Pd6 cuboctahedra. All Cr–Cr bond lengths are 2.68 Å. All Cr–Pd bond lengths are 2.68 Å. In the second Cr site, Cr is bonded to six equivalent Cr and six Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with five equivalent PdCr6Pd10 cuboctahedra, corners with twelve CrCr6Pd6 cuboctahedra, edges with ten PdCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, faces with six equivalent CrCr6Pd6 cuboctahedra, and faces with fifteen PdCr6Pd6 cuboctahedra. All Cr–Cr bond lengths are 2.68 Å. All Cr–Pd bond lengths are 2.68 Å. In the third Cr site, Cr is bonded to six equivalent Cr and six Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with five equivalent PdCr6Pd10 cuboctahedra, corners with twelve CrCr6Pd6 cuboctahedra, edges with ten PdCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, facesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226166
- 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; CrPd; Cr-Pd
- OSTI Identifier:
- 1711567
- DOI:
- https://doi.org/10.17188/1711567
Citation Formats
The Materials Project. Materials Data on CrPd by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1711567.
The Materials Project. Materials Data on CrPd by Materials Project. United States. doi:https://doi.org/10.17188/1711567
The Materials Project. 2020.
"Materials Data on CrPd by Materials Project". United States. doi:https://doi.org/10.17188/1711567. https://www.osti.gov/servlets/purl/1711567. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1711567,
title = {Materials Data on CrPd by Materials Project},
author = {The Materials Project},
abstractNote = {PdCr crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cr sites. In the first Cr site, Cr is bonded to six equivalent Cr and six equivalent Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with twelve CrCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, edges with twelve equivalent PdCr6Pd6 cuboctahedra, faces with six equivalent CrCr6Pd6 cuboctahedra, and faces with twelve equivalent PdCr6Pd6 cuboctahedra. All Cr–Cr bond lengths are 2.68 Å. All Cr–Pd bond lengths are 2.68 Å. In the second Cr site, Cr is bonded to six equivalent Cr and six Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with five equivalent PdCr6Pd10 cuboctahedra, corners with twelve CrCr6Pd6 cuboctahedra, edges with ten PdCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, faces with six equivalent CrCr6Pd6 cuboctahedra, and faces with fifteen PdCr6Pd6 cuboctahedra. All Cr–Cr bond lengths are 2.68 Å. All Cr–Pd bond lengths are 2.68 Å. In the third Cr site, Cr is bonded to six equivalent Cr and six Pd atoms to form distorted CrCr6Pd6 cuboctahedra that share corners with five equivalent PdCr6Pd10 cuboctahedra, corners with twelve CrCr6Pd6 cuboctahedra, edges with ten PdCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, faces with six equivalent CrCr6Pd6 cuboctahedra, and faces with fifteen PdCr6Pd6 cuboctahedra. All Cr–Cr bond lengths are 2.68 Å. All Cr–Pd bond lengths are 2.68 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to six Cr and six equivalent Pd atoms to form distorted PdCr6Pd6 cuboctahedra that share corners with twelve PdCr6Pd6 cuboctahedra, edges with twelve CrCr6Pd6 cuboctahedra, edges with twelve PdCr6Pd6 cuboctahedra, faces with six equivalent PdCr6Pd6 cuboctahedra, and faces with twelve CrCr6Pd6 cuboctahedra. All Pd–Pd bond lengths are 2.68 Å. In the second Pd site, Pd is bonded to six Cr and ten equivalent Pd atoms to form distorted PdCr6Pd10 cuboctahedra that share corners with ten CrCr6Pd6 cuboctahedra, corners with twelve PdCr6Pd6 cuboctahedra, edges with eight CrCr6Pd6 cuboctahedra, edges with sixteen PdCr6Pd6 cuboctahedra, faces with sixteen equivalent PdCr6Pd10 cuboctahedra, and faces with eighteen CrCr6Pd6 cuboctahedra. There are a spread of Pd–Pd bond distances ranging from 2.68–5.36 Å.},
doi = {10.17188/1711567},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}