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Title: Materials Data on Sr5La6Nb4O24 by Materials Project

Abstract

Sr5La6Nb4O24 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.88 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.92 Å. In the third Sr2+ site, Sr2+ is bonded in a distorted square co-planar geometry to four O2- atoms. All Sr–O bond lengths are 2.54 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.86 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.93 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.95 Å. In the third La3+ site, La3+ is bonded in a 9-coordinatemore » geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.82 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.98 Å) and four longer (2.06 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.01–2.05 Å. In the third Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.01–2.07 Å. In the fourth Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.07 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two La3+, and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one La3+, and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the ninth O2- site, O2- is bonded to three La3+ and one Nb5+ atom to form distorted corner-sharing OLa3Nb tetrahedra. In the tenth O2- site, O2- is bonded to one Sr2+, two La3+, and one Nb5+ atom to form distorted corner-sharing OSrLa2Nb tetrahedra. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, three La3+, and one Nb5+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1218796
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; Sr5La6Nb4O24; La-Nb-O-Sr
OSTI Identifier:
1679354
DOI:
https://doi.org/10.17188/1679354

Citation Formats

The Materials Project. Materials Data on Sr5La6Nb4O24 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1679354.
The Materials Project. Materials Data on Sr5La6Nb4O24 by Materials Project. United States. doi:https://doi.org/10.17188/1679354
The Materials Project. 2020. "Materials Data on Sr5La6Nb4O24 by Materials Project". United States. doi:https://doi.org/10.17188/1679354. https://www.osti.gov/servlets/purl/1679354. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1679354,
title = {Materials Data on Sr5La6Nb4O24 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr5La6Nb4O24 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.88 Å. In the second Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.92 Å. In the third Sr2+ site, Sr2+ is bonded in a distorted square co-planar geometry to four O2- atoms. All Sr–O bond lengths are 2.54 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.51–2.86 Å. There are three inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.29–2.93 Å. In the second La3+ site, La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.28–2.95 Å. In the third La3+ site, La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.45–2.82 Å. There are four inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (1.98 Å) and four longer (2.06 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.01–2.05 Å. In the third Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.01–2.07 Å. In the fourth Nb5+ site, Nb5+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Nb–O bond distances ranging from 2.00–2.07 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the fourth O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, two La3+, and one Nb5+ atom. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sr2+, one La3+, and one Nb5+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the ninth O2- site, O2- is bonded to three La3+ and one Nb5+ atom to form distorted corner-sharing OLa3Nb tetrahedra. In the tenth O2- site, O2- is bonded to one Sr2+, two La3+, and one Nb5+ atom to form distorted corner-sharing OSrLa2Nb tetrahedra. In the eleventh O2- site, O2- is bonded in a 5-coordinate geometry to two Sr2+, two La3+, and one Nb5+ atom. In the twelfth O2- site, O2- is bonded in a 5-coordinate geometry to one Sr2+, three La3+, and one Nb5+ atom.},
doi = {10.17188/1679354},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}