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Title: Materials Data on Sb2H18C3(IN)9 by Materials Project

Abstract

(CN3H6)3Sb2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Sb2I9 clusters. In each Sb2I9 cluster, Sb3+ is bonded to six I1- atoms to form face-sharing SbI6 octahedra. There are a spread of Sb–I bond distances ranging from 2.88–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms.

Publication Date:
Other Number(s):
mp-1199335
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Sb2H18C3(IN)9; C-H-I-N-Sb
OSTI Identifier:
1651963
DOI:
https://doi.org/10.17188/1651963

Citation Formats

The Materials Project. Materials Data on Sb2H18C3(IN)9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651963.
The Materials Project. Materials Data on Sb2H18C3(IN)9 by Materials Project. United States. doi:https://doi.org/10.17188/1651963
The Materials Project. 2020. "Materials Data on Sb2H18C3(IN)9 by Materials Project". United States. doi:https://doi.org/10.17188/1651963. https://www.osti.gov/servlets/purl/1651963. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1651963,
title = {Materials Data on Sb2H18C3(IN)9 by Materials Project},
author = {The Materials Project},
abstractNote = {(CN3H6)3Sb2I9 crystallizes in the orthorhombic Cmcm space group. The structure is zero-dimensional and consists of twelve guanidinium molecules and four Sb2I9 clusters. In each Sb2I9 cluster, Sb3+ is bonded to six I1- atoms to form face-sharing SbI6 octahedra. There are a spread of Sb–I bond distances ranging from 2.88–3.30 Å. There are four inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom. In the fourth I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms.},
doi = {10.17188/1651963},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}