U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr4LaMn5O13 by Materials Project
Abstract
Sr4LaMn5O13 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.09 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.79 Å. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share faces with two equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent MnO5 trigonal bipyramids. There are a spread of La–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mn–O bond distances ranging from 1.93–2.06 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218579
- 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; Sr4LaMn5O13; La-Mn-O-Sr
- OSTI Identifier:
- 1732271
- DOI:
- https://doi.org/10.17188/1732271
Citation Formats
The Materials Project. Materials Data on Sr4LaMn5O13 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732271.
The Materials Project. Materials Data on Sr4LaMn5O13 by Materials Project. United States. doi:https://doi.org/10.17188/1732271
The Materials Project. 2020.
"Materials Data on Sr4LaMn5O13 by Materials Project". United States. doi:https://doi.org/10.17188/1732271. https://www.osti.gov/servlets/purl/1732271. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1732271,
title = {Materials Data on Sr4LaMn5O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4LaMn5O13 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–3.09 Å. In the second Sr2+ site, Sr2+ is bonded in a distorted q6 geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–2.79 Å. La3+ is bonded to twelve O2- atoms to form distorted LaO12 cuboctahedra that share faces with two equivalent LaO12 cuboctahedra, faces with four equivalent MnO6 octahedra, and faces with four equivalent MnO5 trigonal bipyramids. There are a spread of La–O bond distances ranging from 2.72–3.07 Å. There are three inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with three equivalent MnO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–5°. There are a spread of Mn–O bond distances ranging from 1.93–2.06 Å. In the second Mn3+ site, Mn3+ is bonded to five O2- atoms to form MnO5 trigonal bipyramids that share corners with two equivalent MnO6 octahedra, corners with two equivalent MnO5 trigonal bipyramids, and faces with two equivalent LaO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Mn–O bond distances ranging from 1.96–2.03 Å. In the third Mn3+ site, Mn3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.93 Å) and two longer (1.97 Å) Mn–O bond length. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to two equivalent Sr2+, two equivalent La3+, and two Mn3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to three Sr2+, one La3+, and two equivalent Mn3+ atoms. In the third O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Mn3+ atoms to form distorted OSr4Mn2 octahedra that share corners with two equivalent OSr2La2Mn2 octahedra and edges with two equivalent OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 2°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Sr2+ and two Mn3+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four Sr2+ and two Mn3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two Mn3+ atoms to form distorted OSr2La2Mn2 octahedra that share corners with three OSr4Mn2 octahedra and edges with three equivalent OSr2La2Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the seventh O2- site, O2- is bonded in a distorted linear geometry to three Sr2+, one La3+, and two equivalent Mn3+ atoms.},
doi = {10.17188/1732271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}