skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Tm2Nb2O7 by Materials Project

Abstract

Tm2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.39 Å) Tm–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Nb–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Nb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-756751
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; Tm2Nb2O7; Nb-O-Tm
OSTI Identifier:
1290617
DOI:
10.17188/1290617

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tm2Nb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290617.
Persson, Kristin, & Project, Materials. Materials Data on Tm2Nb2O7 by Materials Project. United States. doi:10.17188/1290617.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Tm2Nb2O7 by Materials Project". United States. doi:10.17188/1290617. https://www.osti.gov/servlets/purl/1290617. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1290617,
title = {Materials Data on Tm2Nb2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Tm2Nb2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are two shorter (2.22 Å) and six longer (2.39 Å) Tm–O bond lengths. Nb4+ is bonded to six equivalent O2- atoms to form distorted corner-sharing NbO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Nb–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Nb4+ atoms to form a mixture of distorted edge and corner-sharing OTm2Nb2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Tm3+ atoms to form a mixture of edge and corner-sharing OTm4 tetrahedra.},
doi = {10.17188/1290617},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: