skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on LiLa4MnO8 by Materials Project

Abstract

LiLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.35 Å) Li–O bond lengths. 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 2.30–2.77 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 2.36–2.78 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and two longer (2.33 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Mn3+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Li1+, fourmore » La3+, and one Mn3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+ and five La3+ atoms.« less

Publication Date:
Other Number(s):
mp-770950
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; LiLa4MnO8; La-Li-Mn-O
OSTI Identifier:
1300198
DOI:
10.17188/1300198

Citation Formats

The Materials Project. Materials Data on LiLa4MnO8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300198.
The Materials Project. Materials Data on LiLa4MnO8 by Materials Project. United States. doi:10.17188/1300198.
The Materials Project. 2020. "Materials Data on LiLa4MnO8 by Materials Project". United States. doi:10.17188/1300198. https://www.osti.gov/servlets/purl/1300198. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1300198,
title = {Materials Data on LiLa4MnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {LiLa4MnO8 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.94 Å) and two longer (2.35 Å) Li–O bond lengths. 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 2.30–2.77 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 2.36–2.78 Å. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (1.90 Å) and two longer (2.33 Å) Mn–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to five La3+ and one Mn3+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Li1+, four La3+, and one Mn3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to one Li1+ and five La3+ atoms.},
doi = {10.17188/1300198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

Dataset:

Save / Share: