U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TbAl3Ag by Materials Project
Abstract
TbAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.51 Å) and two longer (3.52 Å) Tb–Ag bond lengths. There are a spread of Tb–Al bond distances ranging from 3.21–3.53 Å. Ag is bonded to four equivalent Tb and eight Al atoms to form distorted AgTb4Al8 cuboctahedra that share corners with four equivalent AlTb4Al4Ag4 cuboctahedra, corners with twelve equivalent AgTb4Al8 cuboctahedra, edges with two equivalent AlTb4Al4Ag4 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are a spread of Ag–Al bond distances ranging from 2.62–2.96 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb, four equivalent Ag, and four Al atoms to form AlTb4Al4Ag4 cuboctahedra that share corners with four equivalent AgTb4Al8 cuboctahedra, corners with twelve equivalent AlTb4Al4Ag4 cuboctahedra, edges with two equivalent AgTb4Al8 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Al–Al bond lengths. In the second Al site, Al is bonded in amore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217573
- 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; TbAl3Ag; Ag-Al-Tb
- OSTI Identifier:
- 1695917
- DOI:
- https://doi.org/10.17188/1695917
Citation Formats
The Materials Project. Materials Data on TbAl3Ag by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695917.
The Materials Project. Materials Data on TbAl3Ag by Materials Project. United States. doi:https://doi.org/10.17188/1695917
The Materials Project. 2019.
"Materials Data on TbAl3Ag by Materials Project". United States. doi:https://doi.org/10.17188/1695917. https://www.osti.gov/servlets/purl/1695917. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695917,
title = {Materials Data on TbAl3Ag by Materials Project},
author = {The Materials Project},
abstractNote = {TbAgAl3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to four equivalent Ag and twelve Al atoms. There are two shorter (3.51 Å) and two longer (3.52 Å) Tb–Ag bond lengths. There are a spread of Tb–Al bond distances ranging from 3.21–3.53 Å. Ag is bonded to four equivalent Tb and eight Al atoms to form distorted AgTb4Al8 cuboctahedra that share corners with four equivalent AlTb4Al4Ag4 cuboctahedra, corners with twelve equivalent AgTb4Al8 cuboctahedra, edges with two equivalent AlTb4Al4Ag4 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are a spread of Ag–Al bond distances ranging from 2.62–2.96 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb, four equivalent Ag, and four Al atoms to form AlTb4Al4Ag4 cuboctahedra that share corners with four equivalent AgTb4Al8 cuboctahedra, corners with twelve equivalent AlTb4Al4Ag4 cuboctahedra, edges with two equivalent AgTb4Al8 cuboctahedra, faces with four equivalent AgTb4Al8 cuboctahedra, and faces with four equivalent AlTb4Al4Ag4 cuboctahedra. There are two shorter (2.62 Å) and two longer (2.63 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Ag, and three Al atoms. The Al–Al bond length is 2.48 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to four equivalent Tb, two equivalent Ag, and three Al atoms.},
doi = {10.17188/1695917},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}