U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb4Au(XeF11)2 by Materials Project
Abstract
AuSb4(XeF11)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four AuSb4(XeF11)2 clusters. there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.74 Å. In the second Xe site, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.77 Å. Au is bonded in an L-shaped geometry to two Xe and two F atoms. There are one shorter (2.23 Å) and one longer (2.29 Å) Au–F bond lengths. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.88–2.07 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. In the third Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1199512
- 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; Sb4Au(XeF11)2; Au-F-Sb-Xe
- OSTI Identifier:
- 1733026
- DOI:
- https://doi.org/10.17188/1733026
Citation Formats
The Materials Project. Materials Data on Sb4Au(XeF11)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1733026.
The Materials Project. Materials Data on Sb4Au(XeF11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1733026
The Materials Project. 2019.
"Materials Data on Sb4Au(XeF11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1733026. https://www.osti.gov/servlets/purl/1733026. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1733026,
title = {Materials Data on Sb4Au(XeF11)2 by Materials Project},
author = {The Materials Project},
abstractNote = {AuSb4(XeF11)2 crystallizes in the orthorhombic Pna2_1 space group. The structure is zero-dimensional and consists of four AuSb4(XeF11)2 clusters. there are two inequivalent Xe sites. In the first Xe site, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.74 Å. In the second Xe site, Xe is bonded in a single-bond geometry to one Au atom. The Xe–Au bond length is 2.77 Å. Au is bonded in an L-shaped geometry to two Xe and two F atoms. There are one shorter (2.23 Å) and one longer (2.29 Å) Au–F bond lengths. There are four inequivalent Sb sites. In the first Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.88–2.07 Å. In the second Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.11 Å. In the third Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.04 Å. In the fourth Sb site, Sb is bonded to six F atoms to form corner-sharing SbF6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of Sb–F bond distances ranging from 1.89–2.13 Å. There are twenty-two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Au and one Sb atom. In the second F site, F is bonded in a single-bond geometry to 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 single-bond geometry to one Sb atom. In the sixth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the seventh F site, F is bonded in a single-bond geometry to one Sb atom. In the eighth F site, F is bonded in a single-bond geometry to one Sb atom. In the ninth F site, F is bonded in a single-bond geometry to one Sb atom. In the tenth F site, F is bonded in a single-bond geometry to one Sb atom. In the eleventh F site, F is bonded in a single-bond geometry to one Sb atom. In the twelfth F site, F is bonded in a bent 150 degrees geometry to one Au and one Sb atom. In the thirteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fourteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the fifteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the sixteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the seventeenth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. In the eighteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the nineteenth F site, F is bonded in a single-bond geometry to one Sb atom. In the twentieth F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-first F site, F is bonded in a single-bond geometry to one Sb atom. In the twenty-second F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1733026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}
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