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Title: 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.

Publication Date:
Other Number(s):
mp-1176502
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
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}
}