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Title: Materials Data on Sb5IO7 by Materials Project

Abstract

Sb5O7I crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (1.99 Å) and one longer (2.09 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.80 Å. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. I1- is bonded in a 12-coordinate geometry to six equivalent O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-28485
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; Sb5IO7; I-O-Sb
OSTI Identifier:
1202582
DOI:
https://doi.org/10.17188/1202582

Citation Formats

The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202582.
The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States. doi:https://doi.org/10.17188/1202582
The Materials Project. 2020. "Materials Data on Sb5IO7 by Materials Project". United States. doi:https://doi.org/10.17188/1202582. https://www.osti.gov/servlets/purl/1202582. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1202582,
title = {Materials Data on Sb5IO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5O7I crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. there are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. All Sb–O bond lengths are 2.01 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are two shorter (1.99 Å) and one longer (2.09 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.80 Å. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sb3+ atoms. I1- is bonded in a 12-coordinate geometry to six equivalent O2- atoms.},
doi = {10.17188/1202582},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}