U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr4Y2Fe2Cu4O15 by Materials Project
Abstract
Sr4Y2Fe2Cu4O15 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.07 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.51 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with two equivalent CuO5 square pyramids and corners with three equivalent FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.87–1.95 Å. Cu+2.50+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one FeO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.95–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+2.50+ atoms to form distorted corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, andmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1218585
- 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; Sr4Y2Fe2Cu4O15; Cu-Fe-O-Sr-Y
- OSTI Identifier:
- 1740293
- DOI:
- https://doi.org/10.17188/1740293
Citation Formats
The Materials Project. Materials Data on Sr4Y2Fe2Cu4O15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1740293.
The Materials Project. Materials Data on Sr4Y2Fe2Cu4O15 by Materials Project. United States. doi:https://doi.org/10.17188/1740293
The Materials Project. 2020.
"Materials Data on Sr4Y2Fe2Cu4O15 by Materials Project". United States. doi:https://doi.org/10.17188/1740293. https://www.osti.gov/servlets/purl/1740293. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1740293,
title = {Materials Data on Sr4Y2Fe2Cu4O15 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr4Y2Fe2Cu4O15 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. Sr2+ is bonded in a 11-coordinate geometry to eleven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.56–3.07 Å. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.51 Å. Fe3+ is bonded to five O2- atoms to form FeO5 trigonal bipyramids that share corners with two equivalent CuO5 square pyramids and corners with three equivalent FeO5 trigonal bipyramids. There are a spread of Fe–O bond distances ranging from 1.87–1.95 Å. Cu+2.50+ is bonded to five O2- atoms to form CuO5 square pyramids that share corners with four equivalent CuO5 square pyramids and a cornercorner with one FeO5 trigonal bipyramid. There are a spread of Cu–O bond distances ranging from 1.95–2.14 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+2.50+ atoms to form distorted corner-sharing OSr2Y2Cu2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+2.50+ atoms. In the third O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, two equivalent Y3+, and two equivalent Cu+2.50+ atoms. In the fourth O2- site, O2- is bonded in a 6-coordinate geometry to four equivalent Sr2+, one Fe3+, and one Cu+2.50+ atom. In the fifth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to four equivalent Sr2+ and two equivalent Fe3+ atoms.},
doi = {10.17188/1740293},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}