U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2CuF6 by Materials Project
Abstract
Sr2CuF6 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.55 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.55 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+more »
- Publication Date:
- Other Number(s):
- mp-540812
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Cu-F-Sr; Sr2CuF6; crystal structure
- OSTI Identifier:
- 1264813
- DOI:
- https://doi.org/10.17188/1264813
Citation Formats
Materials Data on Sr2CuF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264813.
Materials Data on Sr2CuF6 by Materials Project. United States. doi:https://doi.org/10.17188/1264813
2020.
"Materials Data on Sr2CuF6 by Materials Project". United States. doi:https://doi.org/10.17188/1264813. https://www.osti.gov/servlets/purl/1264813. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1264813,
title = {Materials Data on Sr2CuF6 by Materials Project},
abstractNote = {Sr2CuF6 crystallizes in the tetragonal P-4b2 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.49–2.55 Å. In the second Sr2+ site, Sr2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.50–2.55 Å. There are two inequivalent Cu2+ sites. In the first Cu2+ site, Cu2+ is bonded in a distorted tetrahedral geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.95 Å. In the second Cu2+ site, Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 1.92 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom. In the second F1- site, F1- is bonded to four Sr2+ atoms to form a mixture of corner and edge-sharing FSr4 tetrahedra. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Cu2+ atom.},
doi = {10.17188/1264813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}