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Title: Materials Data on TbNbO4 by Materials Project

Abstract

TbNbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.24–2.84 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–50°. There are a spread of Nb–O bond distances ranging from 1.93–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tb3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tb3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Tb3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OTb3Nb tetrahedra.

Publication Date:
Other Number(s):
mp-756852
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; TbNbO4; Nb-O-Tb
OSTI Identifier:
1290641
DOI:
https://doi.org/10.17188/1290641

Citation Formats

The Materials Project. Materials Data on TbNbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290641.
The Materials Project. Materials Data on TbNbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1290641
The Materials Project. 2020. "Materials Data on TbNbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1290641. https://www.osti.gov/servlets/purl/1290641. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290641,
title = {Materials Data on TbNbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {TbNbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tb–O bond distances ranging from 2.24–2.84 Å. Nb5+ is bonded to six O2- atoms to form corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 38–50°. There are a spread of Nb–O bond distances ranging from 1.93–2.12 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Tb3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Tb3+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded to three equivalent Tb3+ and one Nb5+ atom to form a mixture of distorted corner and edge-sharing OTb3Nb tetrahedra.},
doi = {10.17188/1290641},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}