U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiAg by Materials Project
Abstract
TiAg crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ag atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with four equivalent TiTi8Ag4 cuboctahedra, corners with eight equivalent AgTi4Ag8 cuboctahedra, edges with eight equivalent TiTi8Ag4 cuboctahedra, edges with sixteen equivalent AgTi4Ag8 cuboctahedra, faces with six equivalent AgTi4Ag8 cuboctahedra, and faces with twelve equivalent TiTi8Ag4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.92 Å) Ti–Ti bond lengths. All Ti–Ag bond lengths are 2.96 Å. Ag is bonded to four equivalent Ti and eight equivalent Ag atoms to form distorted AgTi4Ag8 cuboctahedra that share corners with four equivalent AgTi4Ag8 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with eight equivalent AgTi4Ag8 cuboctahedra, edges with sixteen equivalent TiTi8Ag4 cuboctahedra, faces with six equivalent TiTi8Ag4 cuboctahedra, and faces with twelve equivalent AgTi4Ag8 cuboctahedra. There are four shorter (2.92 Å) and four longer (2.98 Å) Ag–Ag bond lengths.
- Publication Date:
- Other Number(s):
- mp-1017985
- 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-Ti; TiAg; crystal structure
- OSTI Identifier:
- 1350039
- DOI:
- https://doi.org/10.17188/1350039
Citation Formats
Materials Data on TiAg by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350039.
Materials Data on TiAg by Materials Project. United States. doi:https://doi.org/10.17188/1350039
2020.
"Materials Data on TiAg by Materials Project". United States. doi:https://doi.org/10.17188/1350039. https://www.osti.gov/servlets/purl/1350039. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1350039,
title = {Materials Data on TiAg by Materials Project},
abstractNote = {TiAg crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Ag atoms to form distorted TiTi8Ag4 cuboctahedra that share corners with four equivalent TiTi8Ag4 cuboctahedra, corners with eight equivalent AgTi4Ag8 cuboctahedra, edges with eight equivalent TiTi8Ag4 cuboctahedra, edges with sixteen equivalent AgTi4Ag8 cuboctahedra, faces with six equivalent AgTi4Ag8 cuboctahedra, and faces with twelve equivalent TiTi8Ag4 cuboctahedra. There are four shorter (2.79 Å) and four longer (2.92 Å) Ti–Ti bond lengths. All Ti–Ag bond lengths are 2.96 Å. Ag is bonded to four equivalent Ti and eight equivalent Ag atoms to form distorted AgTi4Ag8 cuboctahedra that share corners with four equivalent AgTi4Ag8 cuboctahedra, corners with eight equivalent TiTi8Ag4 cuboctahedra, edges with eight equivalent AgTi4Ag8 cuboctahedra, edges with sixteen equivalent TiTi8Ag4 cuboctahedra, faces with six equivalent TiTi8Ag4 cuboctahedra, and faces with twelve equivalent AgTi4Ag8 cuboctahedra. There are four shorter (2.92 Å) and four longer (2.98 Å) Ag–Ag bond lengths.},
doi = {10.17188/1350039},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}