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Title: Materials Data on SbI3Cl8 by Materials Project

Abstract

Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. 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 I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1199575
Report Number(s):
mp-23536
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; SbI3Cl8; Cl-I-Sb

Citation Formats

The Materials Project. Materials Data on SbI3Cl8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199575.
The Materials Project. Materials Data on SbI3Cl8 by Materials Project. United States. https://doi.org/10.17188/1199575
The Materials Project. Tue . "Materials Data on SbI3Cl8 by Materials Project". United States. https://doi.org/10.17188/1199575. https://www.osti.gov/servlets/purl/1199575.
@article{osti_1199575,
title = {Materials Data on SbI3Cl8 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb(ICl4)2I is alpha Niobium phosphide-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one hydriodic acid molecule and one Sb(ICl4)2 cluster. In the Sb(ICl4)2 cluster, Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Sb–Cl bond distances ranging from 2.38–2.51 Å. I1+ is bonded in a linear geometry to two Cl1- atoms. There are one shorter (2.39 Å) and one longer (2.82 Å) I–Cl bond lengths. 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 I1+ atom. In the third Cl1- site, Cl1- is bonded in a distorted bent 120 degrees geometry to one Sb5+ and one I1+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.},
doi = {10.17188/1199575},
url = {https://www.osti.gov/biblio/1199575}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}