U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sb3S2XeN(O2F9)2 by Materials Project
Abstract
XeSb3NS2(O2F9)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four XeSb3NS2(O2F9)2 clusters. Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.13 Å. The Xe–F bond length is 2.44 Å. There are three 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.10 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.15 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. N is bonded in a trigonal planar geometry to one Xe and two S atoms. There is one shorter (1.69 Å) and one longer (1.73 Å) N–S bond length. There are two inequivalent S sites. In the first S site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-650524
- 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; Sb3S2XeN(O2F9)2; F-N-O-S-Sb-Xe
- OSTI Identifier:
- 1280985
- DOI:
- https://doi.org/10.17188/1280985
Citation Formats
The Materials Project. Materials Data on Sb3S2XeN(O2F9)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280985.
The Materials Project. Materials Data on Sb3S2XeN(O2F9)2 by Materials Project. United States. doi:https://doi.org/10.17188/1280985
The Materials Project. 2020.
"Materials Data on Sb3S2XeN(O2F9)2 by Materials Project". United States. doi:https://doi.org/10.17188/1280985. https://www.osti.gov/servlets/purl/1280985. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280985,
title = {Materials Data on Sb3S2XeN(O2F9)2 by Materials Project},
author = {The Materials Project},
abstractNote = {XeSb3NS2(O2F9)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four XeSb3NS2(O2F9)2 clusters. Xe is bonded in a linear geometry to one N and one F atom. The Xe–N bond length is 2.13 Å. The Xe–F bond length is 2.44 Å. There are three 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.10 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.15 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 29°. There are a spread of Sb–F bond distances ranging from 1.88–2.04 Å. N is bonded in a trigonal planar geometry to one Xe and two S atoms. There is one shorter (1.69 Å) and one longer (1.73 Å) N–S bond length. There are two inequivalent S sites. In the first S site, S is bonded to one N, two O, and one F atom to form distorted corner-sharing SNO2F tetrahedra. Both S–O bond lengths are 1.42 Å. The S–F bond length is 1.58 Å. In the second S site, S is bonded to one N, two O, and one F atom to form corner-sharing SNO2F tetrahedra. There is one shorter (1.42 Å) and one longer (1.43 Å) S–O bond length. The S–F bond length is 1.57 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a single-bond geometry to one S atom. In the third O site, O is bonded in a single-bond geometry to one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. There are eighteen inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to 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 single-bond geometry to one Sb atom. 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 bent 150 degrees geometry to two Sb atoms. In the ninth F site, F is bonded in a bent 150 degrees geometry to two Sb atoms. 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 single-bond geometry to one S atom. In the thirteenth F site, F is bonded in a single-bond geometry to one S atom. In the fourteenth F site, F is bonded in a distorted linear geometry to one Xe and 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 single-bond geometry to one Sb atom. In the eighteenth F site, F is bonded in a single-bond geometry to one Sb atom.},
doi = {10.17188/1280985},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Apr 29 00:00:00 EDT 2020},
month = {Wed Apr 29 00:00:00 EDT 2020}
}
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