U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3P by Materials Project
Abstract
Ag3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with twelve equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra. There are four shorter (2.89 Å) and four longer (2.93 Å) Ag–Ag bond lengths. All Ag–P bond lengths are 2.93 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with four equivalent AgAg8P4 cuboctahedra, corners with eight equivalent PAg12 cuboctahedra, edges with twenty-four AgAg8P4 cuboctahedra, faces with six equivalent PAg12 cuboctahedra, and faces with twelve AgAg8P4 cuboctahedra. All Ag–P bond lengths are 2.89 Å. P3- is bonded to twelve Ag1+ atoms to form PAg12 cuboctahedra that share corners with four equivalent PAg12 cuboctahedra, corners with eight equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen equivalent AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-985295
- 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; Ag-P; Ag3P; crystal structure
- OSTI Identifier:
- 1272829
- DOI:
- https://doi.org/10.17188/1272829
Citation Formats
Materials Data on Ag3P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1272829.
Materials Data on Ag3P by Materials Project. United States. doi:https://doi.org/10.17188/1272829
2020.
"Materials Data on Ag3P by Materials Project". United States. doi:https://doi.org/10.17188/1272829. https://www.osti.gov/servlets/purl/1272829. Pub date:Fri Jul 24 04:00:00 UTC 2020
@article{osti_1272829,
title = {Materials Data on Ag3P by Materials Project},
abstractNote = {Ag3P is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to eight Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with twelve equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra. There are four shorter (2.89 Å) and four longer (2.93 Å) Ag–Ag bond lengths. All Ag–P bond lengths are 2.93 Å. In the second Ag1+ site, Ag1+ is bonded to eight equivalent Ag1+ and four equivalent P3- atoms to form AgAg8P4 cuboctahedra that share corners with four equivalent AgAg8P4 cuboctahedra, corners with eight equivalent PAg12 cuboctahedra, edges with twenty-four AgAg8P4 cuboctahedra, faces with six equivalent PAg12 cuboctahedra, and faces with twelve AgAg8P4 cuboctahedra. All Ag–P bond lengths are 2.89 Å. P3- is bonded to twelve Ag1+ atoms to form PAg12 cuboctahedra that share corners with four equivalent PAg12 cuboctahedra, corners with eight equivalent AgAg8P4 cuboctahedra, edges with eight equivalent PAg12 cuboctahedra, edges with sixteen equivalent AgAg8P4 cuboctahedra, faces with four equivalent PAg12 cuboctahedra, and faces with fourteen AgAg8P4 cuboctahedra.},
doi = {10.17188/1272829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}