Materials Data on SbSe9Cl7 by Materials Project
Abstract
SbCl6(Se)8SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroselenurane molecules, thirty-two selenium molecules, and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are three shorter (2.41 Å) and three longer (2.43 Å) Sb–Cl bond lengths. There are six 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. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-504937
- 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; SbSe9Cl7; Cl-Sb-Se
- OSTI Identifier:
- 1262137
- DOI:
- https://doi.org/10.17188/1262137
Citation Formats
The Materials Project. Materials Data on SbSe9Cl7 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1262137.
The Materials Project. Materials Data on SbSe9Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1262137
The Materials Project. 2017.
"Materials Data on SbSe9Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1262137. https://www.osti.gov/servlets/purl/1262137. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1262137,
title = {Materials Data on SbSe9Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {SbCl6(Se)8SeCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four chloroselenurane molecules, thirty-two selenium molecules, and four SbCl6 clusters. In each SbCl6 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are three shorter (2.41 Å) and three longer (2.43 Å) Sb–Cl bond lengths. There are six 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. In the fifth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom. In the sixth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1262137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}