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

Title: Materials Data on SmNbO4 by Materials Project

Abstract

SmNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.47 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Nb5+ atom.

Publication Date:
Other Number(s):
mp-14152
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; SmNbO4; Nb-O-Sm
OSTI Identifier:
1190189
DOI:
https://doi.org/10.17188/1190189

Citation Formats

The Materials Project. Materials Data on SmNbO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1190189.
The Materials Project. Materials Data on SmNbO4 by Materials Project. United States. doi:https://doi.org/10.17188/1190189
The Materials Project. 2020. "Materials Data on SmNbO4 by Materials Project". United States. doi:https://doi.org/10.17188/1190189. https://www.osti.gov/servlets/purl/1190189. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1190189,
title = {Materials Data on SmNbO4 by Materials Project},
author = {The Materials Project},
abstractNote = {SmNbO4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.40–2.47 Å. Nb5+ is bonded to six O2- atoms to form distorted edge-sharing NbO6 tetrahedra. There are a spread of Nb–O bond distances ranging from 1.88–2.58 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Sm3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sm3+ and one Nb5+ atom.},
doi = {10.17188/1190189},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}