U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Dy2TiO5 by Materials Project
Abstract
Dy2TiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with two equivalent DyO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with six DyO6 octahedra. The corner-sharing octahedra tilt angles range from 59–66°. There are five shorter (2.31 Å) and one longer (2.34 Å) Dy–O bond lengths. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with four DyO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with four DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Dy–O bond distances ranging from 2.21–2.36 Å. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with eight DyO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–66°. There are a spread of Ti–O bond distances ranging from 1.86–2.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-771165
- 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; Dy2TiO5; Dy-O-Ti
- OSTI Identifier:
- 1300333
- DOI:
- https://doi.org/10.17188/1300333
Citation Formats
The Materials Project. Materials Data on Dy2TiO5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1300333.
The Materials Project. Materials Data on Dy2TiO5 by Materials Project. United States. doi:https://doi.org/10.17188/1300333
The Materials Project. 2020.
"Materials Data on Dy2TiO5 by Materials Project". United States. doi:https://doi.org/10.17188/1300333. https://www.osti.gov/servlets/purl/1300333. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1300333,
title = {Materials Data on Dy2TiO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Dy2TiO5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Dy3+ sites. In the first Dy3+ site, Dy3+ is bonded to six O2- atoms to form distorted DyO6 octahedra that share corners with two equivalent DyO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with six DyO6 octahedra. The corner-sharing octahedra tilt angles range from 59–66°. There are five shorter (2.31 Å) and one longer (2.34 Å) Dy–O bond lengths. In the second Dy3+ site, Dy3+ is bonded to six O2- atoms to form DyO6 octahedra that share corners with four DyO6 octahedra, corners with four equivalent TiO6 octahedra, and edges with four DyO6 octahedra. The corner-sharing octahedra tilt angles range from 51–65°. There are a spread of Dy–O bond distances ranging from 2.21–2.36 Å. Ti4+ is bonded to six O2- atoms to form distorted TiO6 octahedra that share corners with two equivalent TiO6 octahedra, corners with eight DyO6 octahedra, and edges with two equivalent TiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–66°. There are a spread of Ti–O bond distances ranging from 1.86–2.42 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Dy3+ atoms to form ODy4 tetrahedra that share corners with ten ODy4 tetrahedra and edges with three ODy3Ti tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to three equivalent Ti4+ atoms. In the third O2- site, O2- is bonded to three Dy3+ and one Ti4+ atom to form a mixture of distorted edge and corner-sharing ODy3Ti tetrahedra. In the fourth O2- site, O2- is bonded to three equivalent Dy3+ and one Ti4+ atom to form a mixture of edge and corner-sharing ODy3Ti tetrahedra. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one Ti4+ atom.},
doi = {10.17188/1300333},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}