U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Y2Ti2O7 by Materials Project
Abstract
Y2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent YO8 hexagonal bipyramids and edges with six equivalent TiO6 octahedra. There are two shorter (2.21 Å) and six longer (2.50 Å) Y–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and edges with six equivalent YO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5373
- 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; Y2Ti2O7; O-Ti-Y
- OSTI Identifier:
- 1263583
- DOI:
- https://doi.org/10.17188/1263583
Citation Formats
The Materials Project. Materials Data on Y2Ti2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263583.
The Materials Project. Materials Data on Y2Ti2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1263583
The Materials Project. 2020.
"Materials Data on Y2Ti2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1263583. https://www.osti.gov/servlets/purl/1263583. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1263583,
title = {Materials Data on Y2Ti2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Y2Ti2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six equivalent YO8 hexagonal bipyramids and edges with six equivalent TiO6 octahedra. There are two shorter (2.21 Å) and six longer (2.50 Å) Y–O bond lengths. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share corners with six equivalent TiO6 octahedra and edges with six equivalent YO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ti–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Y3+ atoms to form corner-sharing OY4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Y3+ and two equivalent Ti4+ atoms.},
doi = {10.17188/1263583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}