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Title: Materials Data on Sr3LaMn4O10 by Materials Project

Abstract

Sr3LaMn4O10 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.91 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.11 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.00 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.91 Å. There are four inequivalent Mn+2.75+ sites. In the first Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.12 Å. In the second Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.96–2.07 Å. In the third Mn+2.75+ site, Mn+2.75+ is bonded tomore » five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.96–2.08 Å. In the fourth Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.92–2.06 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Mn+2.75+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Mn+2.75+ atoms. In the fifth O2- site, O2- is bonded to four Sr2+ and two Mn+2.75+ atoms to form distorted edge-sharing OSr4Mn2 octahedra. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn+2.75+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Mn+2.75+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two equivalent La3+, and two equivalent Mn+2.75+ atoms. In the tenth O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn+2.75+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1218559
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; Sr3LaMn4O10; La-Mn-O-Sr
OSTI Identifier:
1674828
DOI:
https://doi.org/10.17188/1674828

Citation Formats

The Materials Project. Materials Data on Sr3LaMn4O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1674828.
The Materials Project. Materials Data on Sr3LaMn4O10 by Materials Project. United States. doi:https://doi.org/10.17188/1674828
The Materials Project. 2020. "Materials Data on Sr3LaMn4O10 by Materials Project". United States. doi:https://doi.org/10.17188/1674828. https://www.osti.gov/servlets/purl/1674828. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1674828,
title = {Materials Data on Sr3LaMn4O10 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr3LaMn4O10 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–2.91 Å. In the second Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.57–3.11 Å. In the third Sr2+ site, Sr2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.00 Å. La3+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of La–O bond distances ranging from 2.49–2.91 Å. There are four inequivalent Mn+2.75+ sites. In the first Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.97–2.12 Å. In the second Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.96–2.07 Å. In the third Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 square pyramids. There are a spread of Mn–O bond distances ranging from 1.96–2.08 Å. In the fourth Mn+2.75+ site, Mn+2.75+ is bonded to five O2- atoms to form corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.92–2.06 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Mn+2.75+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two Mn+2.75+ atoms. In the fifth O2- site, O2- is bonded to four Sr2+ and two Mn+2.75+ atoms to form distorted edge-sharing OSr4Mn2 octahedra. In the sixth O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two Mn+2.75+ atoms. In the seventh O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn+2.75+ atoms. In the eighth O2- site, O2- is bonded in a 6-coordinate geometry to four Sr2+ and two equivalent Mn+2.75+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two Sr2+, two equivalent La3+, and two equivalent Mn+2.75+ atoms. In the tenth O2- site, O2- is bonded in a 6-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn+2.75+ atoms.},
doi = {10.17188/1674828},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}