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Title: Materials Data on SrLaMnNbO6 by Materials Project

Abstract

LaSrMnNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.90 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.93 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 25–34°. There are a spread of Nb–O bond distances ranging from 2.01–2.05 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 25–34°. There are a spread of Mn–O bond distances ranging from 2.19–2.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Nb5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Nb5+, and one Mn2+ atom. In the third O2- site,more » O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Nb5+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Nb5+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded to one Sr2+, one La3+, one Nb5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnNb tetrahedra. In the sixth O2- site, O2- is bonded to one Sr2+, one La3+, one Nb5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnNb tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1218213
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; SrLaMnNbO6; La-Mn-Nb-O-Sr
OSTI Identifier:
1666897
DOI:
https://doi.org/10.17188/1666897

Citation Formats

The Materials Project. Materials Data on SrLaMnNbO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1666897.
The Materials Project. Materials Data on SrLaMnNbO6 by Materials Project. United States. doi:https://doi.org/10.17188/1666897
The Materials Project. 2020. "Materials Data on SrLaMnNbO6 by Materials Project". United States. doi:https://doi.org/10.17188/1666897. https://www.osti.gov/servlets/purl/1666897. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1666897,
title = {Materials Data on SrLaMnNbO6 by Materials Project},
author = {The Materials Project},
abstractNote = {LaSrMnNbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.90 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.38–2.93 Å. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 25–34°. There are a spread of Nb–O bond distances ranging from 2.01–2.05 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 25–34°. There are a spread of Mn–O bond distances ranging from 2.19–2.22 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Nb5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Nb5+, and one Mn2+ atom. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+, one La3+, one Nb5+, and one Mn2+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, two equivalent La3+, one Nb5+, and one Mn2+ atom. In the fifth O2- site, O2- is bonded to one Sr2+, one La3+, one Nb5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnNb tetrahedra. In the sixth O2- site, O2- is bonded to one Sr2+, one La3+, one Nb5+, and one Mn2+ atom to form distorted corner-sharing OSrLaMnNb tetrahedra.},
doi = {10.17188/1666897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}