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Title: Materials Data on Sb5IO7 by Materials Project

Abstract

Sb5O7I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.07 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.11 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.73 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.04 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometrymore » to two Sb3+ and one I1- atom. The O–I bond length is 3.80 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.61 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.77 Å. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.79 Å. I1- is bonded in a 4-coordinate geometry to four O2- atoms.« less

Publication Date:
Other Number(s):
mp-556869
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; Sb5IO7; I-O-Sb
OSTI Identifier:
1269586
DOI:
10.17188/1269586

Citation Formats

The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269586.
The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States. doi:10.17188/1269586.
The Materials Project. 2020. "Materials Data on Sb5IO7 by Materials Project". United States. doi:10.17188/1269586. https://www.osti.gov/servlets/purl/1269586. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1269586,
title = {Materials Data on Sb5IO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5O7I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are five inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.04 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.07 Å. In the third Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.99–2.11 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.73 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.04 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.80 Å. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.61 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ atoms. In the fifth O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.77 Å. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.79 Å. I1- is bonded in a 4-coordinate geometry to four O2- atoms.},
doi = {10.17188/1269586},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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