U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuSb2(XeF8)2 by Materials Project
Abstract
CuSb2(XeF8)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuSb2(XeF8)2 ribbons oriented in the (1, 0, 0) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) Xe–F bond lengths. Cu is bonded to six F atoms to form CuF6 octahedra that share corners with four equivalent SbF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Cu–F bond distances ranging from 1.89–2.13 Å. Sb is bonded to six F atoms to form SbF6 octahedra that share corners with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Sb–F bond distances ranging from 1.91–1.97 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Cu and one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry tomore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-606617
- 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; CuSb2(XeF8)2; Cu-F-Sb-Xe
- OSTI Identifier:
- 1277514
- DOI:
- https://doi.org/10.17188/1277514
Citation Formats
The Materials Project. Materials Data on CuSb2(XeF8)2 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1277514.
The Materials Project. Materials Data on CuSb2(XeF8)2 by Materials Project. United States. doi:https://doi.org/10.17188/1277514
The Materials Project. 2017.
"Materials Data on CuSb2(XeF8)2 by Materials Project". United States. doi:https://doi.org/10.17188/1277514. https://www.osti.gov/servlets/purl/1277514. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1277514,
title = {Materials Data on CuSb2(XeF8)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuSb2(XeF8)2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two CuSb2(XeF8)2 ribbons oriented in the (1, 0, 0) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.02 Å) and one longer (2.17 Å) Xe–F bond lengths. Cu is bonded to six F atoms to form CuF6 octahedra that share corners with four equivalent SbF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Cu–F bond distances ranging from 1.89–2.13 Å. Sb is bonded to six F atoms to form SbF6 octahedra that share corners with two equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Sb–F bond distances ranging from 1.91–1.97 Å. There are eight inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one Xe atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Cu and one Sb atom. In the third F site, F is bonded in a single-bond geometry to one Sb atom. In the fourth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifth F site, F is bonded in a linear geometry to one Xe and one Cu atom. In the sixth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventh F site, F is bonded in a bent 150 degrees geometry to one Cu and one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1277514},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}