U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbCNCl6 by Materials Project
Abstract
CSbNCl6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CSbNCl6 clusters. C4+ is bonded in a linear geometry to one N3- and one Cl1- atom. The C–N bond length is 1.17 Å. The C–Cl bond length is 1.59 Å. Sb5+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The Sb–N bond length is 2.32 Å. There are one shorter (2.37 Å) and four longer (2.38 Å) Sb–Cl bond lengths. N3- is bonded in a distorted linear geometry to one C4+ and one Sb5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.
- Publication Date:
- Other Number(s):
- mp-570727
- 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; C-Cl-N-Sb; SbCNCl6; crystal structure
- OSTI Identifier:
- 1275879
- DOI:
- https://doi.org/10.17188/1275879
Citation Formats
Materials Data on SbCNCl6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275879.
Materials Data on SbCNCl6 by Materials Project. United States. doi:https://doi.org/10.17188/1275879
2020.
"Materials Data on SbCNCl6 by Materials Project". United States. doi:https://doi.org/10.17188/1275879. https://www.osti.gov/servlets/purl/1275879. Pub date:Thu Apr 30 04:00:00 UTC 2020
@article{osti_1275879,
title = {Materials Data on SbCNCl6 by Materials Project},
abstractNote = {CSbNCl6 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four CSbNCl6 clusters. C4+ is bonded in a linear geometry to one N3- and one Cl1- atom. The C–N bond length is 1.17 Å. The C–Cl bond length is 1.59 Å. Sb5+ is bonded in an octahedral geometry to one N3- and five Cl1- atoms. The Sb–N bond length is 2.32 Å. There are one shorter (2.37 Å) and four longer (2.38 Å) Sb–Cl bond lengths. N3- is bonded in a distorted linear geometry to one C4+ and one Sb5+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1275879},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}