U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er3P by Materials Project
Abstract
Er3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent P atoms to form distorted ErEr8P4 cuboctahedra that share corners with twelve equivalent ErEr8P4 cuboctahedra, edges with eight equivalent ErEr8P4 cuboctahedra, edges with eight equivalent PEr12 cuboctahedra, faces with four equivalent PEr12 cuboctahedra, and faces with ten equivalent ErEr8P4 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.34 Å) Er–Er bond lengths. All Er–P bond lengths are 3.34 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent P atoms. All Er–P bond lengths are 3.09 Å. P is bonded to twelve Er atoms to form PEr12 cuboctahedra that share corners with four equivalent PEr12 cuboctahedra, edges with eight equivalent PEr12 cuboctahedra, edges with sixteen equivalent ErEr8P4 cuboctahedra, faces with four equivalent PEr12 cuboctahedra, and faces with eight equivalent ErEr8P4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1184179
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Er-P; Er3P; crystal structure
- OSTI Identifier:
- 1654835
- DOI:
- https://doi.org/10.17188/1654835
Citation Formats
Materials Data on Er3P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1654835.
Materials Data on Er3P by Materials Project. United States. doi:https://doi.org/10.17188/1654835
2020.
"Materials Data on Er3P by Materials Project". United States. doi:https://doi.org/10.17188/1654835. https://www.osti.gov/servlets/purl/1654835. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1654835,
title = {Materials Data on Er3P by Materials Project},
abstractNote = {Er3P is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent P atoms to form distorted ErEr8P4 cuboctahedra that share corners with twelve equivalent ErEr8P4 cuboctahedra, edges with eight equivalent ErEr8P4 cuboctahedra, edges with eight equivalent PEr12 cuboctahedra, faces with four equivalent PEr12 cuboctahedra, and faces with ten equivalent ErEr8P4 cuboctahedra. There are four shorter (3.09 Å) and four longer (3.34 Å) Er–Er bond lengths. All Er–P bond lengths are 3.34 Å. In the second Er site, Er is bonded in a square co-planar geometry to eight equivalent Er and four equivalent P atoms. All Er–P bond lengths are 3.09 Å. P is bonded to twelve Er atoms to form PEr12 cuboctahedra that share corners with four equivalent PEr12 cuboctahedra, edges with eight equivalent PEr12 cuboctahedra, edges with sixteen equivalent ErEr8P4 cuboctahedra, faces with four equivalent PEr12 cuboctahedra, and faces with eight equivalent ErEr8P4 cuboctahedra.},
doi = {10.17188/1654835},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}