Materials Data on LuNbO4 by Materials Project
Abstract
LuNbO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Lu–O bond distances ranging from 2.14–2.36 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.83–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Lu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to three equivalent Lu3+ and one Nb5+ atom to form a mixture of corner and edge-sharing OLu3Nb tetrahedra. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Lu3+ and two equivalent Nb5+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1176502
- 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; LuNbO4; Lu-Nb-O
- OSTI Identifier:
- 1744828
- DOI:
- https://doi.org/10.17188/1744828
Citation Formats
The Materials Project. Materials Data on LuNbO4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1744828.
The Materials Project. Materials Data on LuNbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1744828
The Materials Project. 2020.
"Materials Data on LuNbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1744828. https://www.osti.gov/servlets/purl/1744828. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1744828,
title = {Materials Data on LuNbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LuNbO4 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Lu3+ is bonded to six O2- atoms to form a mixture of distorted corner and edge-sharing LuO6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are a spread of Lu–O bond distances ranging from 2.14–2.36 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.83–2.36 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Lu3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to one Lu3+ and one Nb5+ atom. In the third O2- site, O2- is bonded to three equivalent Lu3+ and one Nb5+ atom to form a mixture of corner and edge-sharing OLu3Nb tetrahedra. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to one Lu3+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1744828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}