U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pa3Re by Materials Project
Abstract
Pa3Re is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Re atoms to form distorted PaPa8Re4 cuboctahedra that share corners with four equivalent RePa12 cuboctahedra, corners with fourteen equivalent PaPa8Re4 cuboctahedra, edges with six equivalent RePa12 cuboctahedra, edges with twelve equivalent PaPa8Re4 cuboctahedra, faces with four equivalent RePa12 cuboctahedra, and faces with sixteen equivalent PaPa8Re4 cuboctahedra. There are a spread of Pa–Pa bond distances ranging from 2.92–3.30 Å. There are two shorter (3.10 Å) and two longer (3.18 Å) Pa–Re bond lengths. Re is bonded to twelve equivalent Pa atoms to form RePa12 cuboctahedra that share corners with six equivalent RePa12 cuboctahedra, corners with twelve equivalent PaPa8Re4 cuboctahedra, edges with eighteen equivalent PaPa8Re4 cuboctahedra, faces with eight equivalent RePa12 cuboctahedra, and faces with twelve equivalent PaPa8Re4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-973911
- 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; Pa3Re; Pa-Re
- OSTI Identifier:
- 1314318
- DOI:
- https://doi.org/10.17188/1314318
Citation Formats
The Materials Project. Materials Data on Pa3Re by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314318.
The Materials Project. Materials Data on Pa3Re by Materials Project. United States. doi:https://doi.org/10.17188/1314318
The Materials Project. 2020.
"Materials Data on Pa3Re by Materials Project". United States. doi:https://doi.org/10.17188/1314318. https://www.osti.gov/servlets/purl/1314318. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1314318,
title = {Materials Data on Pa3Re by Materials Project},
author = {The Materials Project},
abstractNote = {Pa3Re is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Re atoms to form distorted PaPa8Re4 cuboctahedra that share corners with four equivalent RePa12 cuboctahedra, corners with fourteen equivalent PaPa8Re4 cuboctahedra, edges with six equivalent RePa12 cuboctahedra, edges with twelve equivalent PaPa8Re4 cuboctahedra, faces with four equivalent RePa12 cuboctahedra, and faces with sixteen equivalent PaPa8Re4 cuboctahedra. There are a spread of Pa–Pa bond distances ranging from 2.92–3.30 Å. There are two shorter (3.10 Å) and two longer (3.18 Å) Pa–Re bond lengths. Re is bonded to twelve equivalent Pa atoms to form RePa12 cuboctahedra that share corners with six equivalent RePa12 cuboctahedra, corners with twelve equivalent PaPa8Re4 cuboctahedra, edges with eighteen equivalent PaPa8Re4 cuboctahedra, faces with eight equivalent RePa12 cuboctahedra, and faces with twelve equivalent PaPa8Re4 cuboctahedra.},
doi = {10.17188/1314318},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}