Materials Data on LuTaO4 by Materials Project
Abstract
LuTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form distorted LuO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Lu–O bond distances ranging from 2.19–2.30 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with eight equivalent LuO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Ta–O bond distances ranging from 1.90–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Lu3+ and two equivalent Ta5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-5489
- 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; LuTaO4; Lu-O-Ta
- OSTI Identifier:
- 1267364
- DOI:
- https://doi.org/10.17188/1267364
Citation Formats
The Materials Project. Materials Data on LuTaO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267364.
The Materials Project. Materials Data on LuTaO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267364
The Materials Project. 2020.
"Materials Data on LuTaO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267364. https://www.osti.gov/servlets/purl/1267364. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267364,
title = {Materials Data on LuTaO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LuTaO4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form distorted LuO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent LuO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Lu–O bond distances ranging from 2.19–2.30 Å. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with eight equivalent LuO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–61°. There are a spread of Ta–O bond distances ranging from 1.90–2.17 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Lu3+ and one Ta5+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Lu3+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1267364},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}