U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2FeCu(PbO3)2 by Materials Project
Abstract
Sr2FeCu(PbO3)2 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.00 Å. Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.98 Å) and two longer (2.21 Å) Fe–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Fe3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Fe3+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu1+, and three equivalent Pb2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1187205
- 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; Sr2FeCu(PbO3)2; Cu-Fe-O-Pb-Sr
- OSTI Identifier:
- 1695447
- DOI:
- https://doi.org/10.17188/1695447
Citation Formats
The Materials Project. Materials Data on Sr2FeCu(PbO3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695447.
The Materials Project. Materials Data on Sr2FeCu(PbO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1695447
The Materials Project. 2020.
"Materials Data on Sr2FeCu(PbO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1695447. https://www.osti.gov/servlets/purl/1695447. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1695447,
title = {Materials Data on Sr2FeCu(PbO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2FeCu(PbO3)2 crystallizes in the orthorhombic Pnc2 space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.62–3.00 Å. Fe3+ is bonded to six O2- atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are four shorter (1.98 Å) and two longer (2.21 Å) Fe–O bond lengths. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.19–2.80 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Fe3+ atoms to form a mixture of distorted corner, edge, and face-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Fe3+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu1+, and three equivalent Pb2+ atoms.},
doi = {10.17188/1695447},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}