U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SbP3C(NCl5)3 by Materials Project
Abstract
CP3N3Cl7SbCl4(Cl2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four chlorine molecules, two CP3N3Cl7 clusters, and two SbCl4 clusters. In each CP3N3Cl7 cluster, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.35 Å) and one longer (1.37 Å) C–N bond length. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a water-like geometry to one N3- and one Cl1- atom. The P–N bond length is 1.59 Å. The P–Cl bond length is 2.01 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There are a spread of P–Cl bond distances ranging from 1.98–2.00 Å. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.59 Å. There is two shorter (1.98 Å) and one longer (2.00 Å) P–Cl bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. Inmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-648363
- 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; SbP3C(NCl5)3; C-Cl-N-P-Sb
- OSTI Identifier:
- 1280813
- DOI:
- https://doi.org/10.17188/1280813
Citation Formats
The Materials Project. Materials Data on SbP3C(NCl5)3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1280813.
The Materials Project. Materials Data on SbP3C(NCl5)3 by Materials Project. United States. doi:https://doi.org/10.17188/1280813
The Materials Project. 2020.
"Materials Data on SbP3C(NCl5)3 by Materials Project". United States. doi:https://doi.org/10.17188/1280813. https://www.osti.gov/servlets/purl/1280813. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1280813,
title = {Materials Data on SbP3C(NCl5)3 by Materials Project},
author = {The Materials Project},
abstractNote = {CP3N3Cl7SbCl4(Cl2)2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four chlorine molecules, two CP3N3Cl7 clusters, and two SbCl4 clusters. In each CP3N3Cl7 cluster, C4+ is bonded in a trigonal planar geometry to three N3- atoms. There is two shorter (1.35 Å) and one longer (1.37 Å) C–N bond length. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded in a water-like geometry to one N3- and one Cl1- atom. The P–N bond length is 1.59 Å. The P–Cl bond length is 2.01 Å. In the second P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.58 Å. There are a spread of P–Cl bond distances ranging from 1.98–2.00 Å. In the third P5+ site, P5+ is bonded in a tetrahedral geometry to one N3- and three Cl1- atoms. The P–N bond length is 1.59 Å. There is two shorter (1.98 Å) and one longer (2.00 Å) P–Cl bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to one C4+ and one P5+ atom. There are seven inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the seventh Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In each SbCl4 cluster, Sb5+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.42–2.64 Å. 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 Sb5+ atom.},
doi = {10.17188/1280813},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}