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Title: Materials Data on La4MnO8 by Materials Project

Abstract

La4MnO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.77 Å. In the second 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 2.53–2.79 Å. Mn4+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.86 Å) and two longer (2.08 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four La3+ and one Mn4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five La3+ atoms. In the third O2- site, O2- is bonded to five La3+ and one Mn4+ atom to form a mixture of distorted edge and corner-sharing OLa5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–17°.

Publication Date:
Other Number(s):
mp-769598
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; La4MnO8; La-Mn-O
OSTI Identifier:
1298927
DOI:
10.17188/1298927

Citation Formats

The Materials Project. Materials Data on La4MnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298927.
The Materials Project. Materials Data on La4MnO8 by Materials Project. United States. doi:10.17188/1298927.
The Materials Project. 2020. "Materials Data on La4MnO8 by Materials Project". United States. doi:10.17188/1298927. https://www.osti.gov/servlets/purl/1298927. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1298927,
title = {Materials Data on La4MnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {La4MnO8 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.24–2.77 Å. In the second 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 2.53–2.79 Å. Mn4+ is bonded in an octahedral geometry to six O2- atoms. There is four shorter (1.86 Å) and two longer (2.08 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to four La3+ and one Mn4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to five La3+ atoms. In the third O2- site, O2- is bonded to five La3+ and one Mn4+ atom to form a mixture of distorted edge and corner-sharing OLa5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–17°.},
doi = {10.17188/1298927},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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