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Title: Materials Data on RbLaNb2O7 by Materials Project

Abstract

RbLaNb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.43 Å. La3+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.86 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent La3+ and two equivalent Nb5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-553965
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; RbLaNb2O7; La-Nb-O-Rb
OSTI Identifier:
1267663
DOI:
10.17188/1267663

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RbLaNb2O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267663.
Persson, Kristin, & Project, Materials. Materials Data on RbLaNb2O7 by Materials Project. United States. doi:10.17188/1267663.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RbLaNb2O7 by Materials Project". United States. doi:10.17188/1267663. https://www.osti.gov/servlets/purl/1267663. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267663,
title = {Materials Data on RbLaNb2O7 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RbLaNb2O7 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Rb1+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. There are a spread of Rb–O bond distances ranging from 2.94–3.43 Å. La3+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of La–O bond distances ranging from 2.33–2.86 Å. Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 1.80–2.35 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent La3+ and two equivalent Nb5+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent Nb5+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to two equivalent La3+ and two equivalent Nb5+ atoms.},
doi = {10.17188/1267663},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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