U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SrLa(FeO3)2 by Materials Project
Abstract
SrLa(FeO3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.58–3.00 Å. La is bonded in a 12-coordinate geometry to nine O atoms. There are three shorter (2.47 Å) and six longer (2.78 Å) La–O bond lengths. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 12–19°. There is three shorter (1.98 Å) and three longer (1.99 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to two equivalent Sr, two equivalent La, and two equivalent Fe atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, and two equivalent Fe atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218237
- 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; SrLa(FeO3)2; Fe-La-O-Sr
- OSTI Identifier:
- 1722240
- DOI:
- https://doi.org/10.17188/1722240
Citation Formats
The Materials Project. Materials Data on SrLa(FeO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722240.
The Materials Project. Materials Data on SrLa(FeO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722240
The Materials Project. 2020.
"Materials Data on SrLa(FeO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722240. https://www.osti.gov/servlets/purl/1722240. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722240,
title = {Materials Data on SrLa(FeO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {SrLa(FeO3)2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form distorted SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra and faces with eight equivalent FeO6 octahedra. There are a spread of Sr–O bond distances ranging from 2.58–3.00 Å. La is bonded in a 12-coordinate geometry to nine O atoms. There are three shorter (2.47 Å) and six longer (2.78 Å) La–O bond lengths. Fe is bonded to six O atoms to form FeO6 octahedra that share corners with six equivalent FeO6 octahedra and faces with four equivalent SrO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 12–19°. There is three shorter (1.98 Å) and three longer (1.99 Å) Fe–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to two equivalent Sr, two equivalent La, and two equivalent Fe atoms. In the second O site, O is bonded in a 5-coordinate geometry to two equivalent Sr, one La, and two equivalent Fe atoms.},
doi = {10.17188/1722240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}