U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy(TiGa2)2 by Materials Project
Abstract
Dy(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.90 Å) and eight longer (3.32 Å) Dy–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.80 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Gamore »
- Publication Date:
- Other Number(s):
- mp-1025364
- 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; Dy(TiGa2)2; Dy-Ga-Ti; crystal structure
- OSTI Identifier:
- 1355550
- DOI:
- https://doi.org/10.17188/1355550
Citation Formats
Materials Data on Dy(TiGa2)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1355550.
Materials Data on Dy(TiGa2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1355550
2017.
"Materials Data on Dy(TiGa2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1355550. https://www.osti.gov/servlets/purl/1355550. Pub date:Tue May 09 00:00:00 EDT 2017
@article{osti_1355550,
title = {Materials Data on Dy(TiGa2)2 by Materials Project},
abstractNote = {Dy(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Dy is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.90 Å) and eight longer (3.32 Å) Dy–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.80 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. There are two shorter (2.68 Å) and two longer (2.90 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the fourth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å. In the fifth Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Dy, four equivalent Ti, and four Ga atoms. Both Ga–Ga bond lengths are 2.68 Å.},
doi = {10.17188/1355550},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue May 09 00:00:00 EDT 2017},
month = {Tue May 09 00:00:00 EDT 2017}
}