U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sc3Pb by Materials Project
Abstract
Sc3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent Pb atoms to form distorted ScSc8Pb4 cuboctahedra that share corners with twelve equivalent ScSc8Pb4 cuboctahedra, edges with eight equivalent ScSc8Pb4 cuboctahedra, edges with eight equivalent PbSc12 cuboctahedra, faces with four equivalent PbSc12 cuboctahedra, and faces with ten equivalent ScSc8Pb4 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.31 Å) Sc–Sc bond lengths. All Sc–Pb bond lengths are 3.31 Å. In the second Sc site, Sc is bonded in a square co-planar geometry to eight equivalent Sc and four equivalent Pb atoms. All Sc–Pb bond lengths are 3.11 Å. Pb is bonded to twelve Sc atoms to form PbSc12 cuboctahedra that share corners with four equivalent PbSc12 cuboctahedra, edges with eight equivalent PbSc12 cuboctahedra, edges with sixteen equivalent ScSc8Pb4 cuboctahedra, faces with four equivalent PbSc12 cuboctahedra, and faces with eight equivalent ScSc8Pb4 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-978531
- 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; Sc3Pb; Pb-Sc
- OSTI Identifier:
- 1315945
- DOI:
- https://doi.org/10.17188/1315945
Citation Formats
The Materials Project. Materials Data on Sc3Pb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1315945.
The Materials Project. Materials Data on Sc3Pb by Materials Project. United States. doi:https://doi.org/10.17188/1315945
The Materials Project. 2020.
"Materials Data on Sc3Pb by Materials Project". United States. doi:https://doi.org/10.17188/1315945. https://www.osti.gov/servlets/purl/1315945. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1315945,
title = {Materials Data on Sc3Pb by Materials Project},
author = {The Materials Project},
abstractNote = {Sc3Pb is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded to eight Sc and four equivalent Pb atoms to form distorted ScSc8Pb4 cuboctahedra that share corners with twelve equivalent ScSc8Pb4 cuboctahedra, edges with eight equivalent ScSc8Pb4 cuboctahedra, edges with eight equivalent PbSc12 cuboctahedra, faces with four equivalent PbSc12 cuboctahedra, and faces with ten equivalent ScSc8Pb4 cuboctahedra. There are four shorter (3.11 Å) and four longer (3.31 Å) Sc–Sc bond lengths. All Sc–Pb bond lengths are 3.31 Å. In the second Sc site, Sc is bonded in a square co-planar geometry to eight equivalent Sc and four equivalent Pb atoms. All Sc–Pb bond lengths are 3.11 Å. Pb is bonded to twelve Sc atoms to form PbSc12 cuboctahedra that share corners with four equivalent PbSc12 cuboctahedra, edges with eight equivalent PbSc12 cuboctahedra, edges with sixteen equivalent ScSc8Pb4 cuboctahedra, faces with four equivalent PbSc12 cuboctahedra, and faces with eight equivalent ScSc8Pb4 cuboctahedra.},
doi = {10.17188/1315945},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}