U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tb5Ir3 by Materials Project
Abstract
Tb5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to five Ir atoms to form distorted TbIr5 trigonal bipyramids that share corners with four equivalent TbIr4 tetrahedra, corners with eleven equivalent TbIr5 trigonal bipyramids, an edgeedge with one TbIr4 tetrahedra, edges with six equivalent TbIr5 trigonal bipyramids, and faces with two equivalent TbIr5 trigonal bipyramids. There are a spread of Tb–Ir bond distances ranging from 2.90–3.16 Å. In the second Tb site, Tb is bonded to four equivalent Ir atoms to form TbIr4 tetrahedra that share corners with sixteen equivalent TbIr5 trigonal bipyramids, edges with two equivalent TbIr4 tetrahedra, and edges with four equivalent TbIr5 trigonal bipyramids. All Tb–Ir bond lengths are 2.87 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Tb atoms.
- Publication Date:
- Other Number(s):
- mp-1201266
- 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; Ir-Tb; Tb5Ir3; crystal structure
- OSTI Identifier:
- 1700170
- DOI:
- https://doi.org/10.17188/1700170
Citation Formats
Materials Data on Tb5Ir3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1700170.
Materials Data on Tb5Ir3 by Materials Project. United States. doi:https://doi.org/10.17188/1700170
2020.
"Materials Data on Tb5Ir3 by Materials Project". United States. doi:https://doi.org/10.17188/1700170. https://www.osti.gov/servlets/purl/1700170. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1700170,
title = {Materials Data on Tb5Ir3 by Materials Project},
abstractNote = {Tb5Ir3 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to five Ir atoms to form distorted TbIr5 trigonal bipyramids that share corners with four equivalent TbIr4 tetrahedra, corners with eleven equivalent TbIr5 trigonal bipyramids, an edgeedge with one TbIr4 tetrahedra, edges with six equivalent TbIr5 trigonal bipyramids, and faces with two equivalent TbIr5 trigonal bipyramids. There are a spread of Tb–Ir bond distances ranging from 2.90–3.16 Å. In the second Tb site, Tb is bonded to four equivalent Ir atoms to form TbIr4 tetrahedra that share corners with sixteen equivalent TbIr5 trigonal bipyramids, edges with two equivalent TbIr4 tetrahedra, and edges with four equivalent TbIr5 trigonal bipyramids. All Tb–Ir bond lengths are 2.87 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Tb atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight equivalent Tb atoms.},
doi = {10.17188/1700170},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}