U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2LaMn2O7 by Materials Project
Abstract
LaSr2Mn2O7 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first 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 2.49–2.81 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.72–2.92 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.79 Å. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–O bond distances ranging from 1.96–2.09 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with fourmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218752
- 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; Sr2LaMn2O7; La-Mn-O-Sr
- OSTI Identifier:
- 1683937
- DOI:
- https://doi.org/10.17188/1683937
Citation Formats
The Materials Project. Materials Data on Sr2LaMn2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683937.
The Materials Project. Materials Data on Sr2LaMn2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1683937
The Materials Project. 2020.
"Materials Data on Sr2LaMn2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1683937. https://www.osti.gov/servlets/purl/1683937. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683937,
title = {Materials Data on Sr2LaMn2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {LaSr2Mn2O7 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first 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 2.49–2.81 Å. In the second Sr2+ site, Sr2+ is bonded to twelve O2- atoms to form SrO12 cuboctahedra that share corners with four equivalent SrO12 cuboctahedra, faces with four equivalent SrO12 cuboctahedra, and faces with eight MnO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.72–2.92 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.34–2.79 Å. There are two inequivalent Mn+3.50+ sites. In the first Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mn–O bond distances ranging from 1.96–2.09 Å. In the second Mn+3.50+ site, Mn+3.50+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with five MnO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–8°. There are a spread of Mn–O bond distances ranging from 1.92–2.03 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Mn+3.50+ atom to form distorted OSr4LaMn octahedra that share corners with twelve OSr4LaMn octahedra, edges with eight OSr4LaMn octahedra, and faces with four equivalent OSr4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 17–51°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Mn+3.50+ atom to form distorted OSrLa4Mn octahedra that share corners with eight OSrLa4Mn octahedra and edges with eight OSr4LaMn octahedra. The corner-sharing octahedra tilt angles range from 11–49°. In the third O2- site, O2- is bonded to four Sr2+ and two equivalent Mn+3.50+ atoms to form distorted OSr4Mn2 octahedra that share corners with eight OSr4LaMn octahedra, edges with two equivalent OSr4Mn2 octahedra, and faces with six OSr4LaMn octahedra. The corner-sharing octahedra tilt angles range from 1–51°. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, two equivalent La3+, and two equivalent Mn+3.50+ atoms. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two Mn+3.50+ atoms.},
doi = {10.17188/1683937},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}