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Title: Materials Data on Sb3IO4 by Materials Project

Abstract

Sb3O4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.12 Å. There are one shorter (3.38 Å) and one longer (3.59 Å) Sb–I bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.07 Å. The Sb–I bond length is 3.66 Å. In the third 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 1.98–2.30 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.07 Å. The Sb–I bond length is 3.59 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.29 Å. In themore » sixth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.12 Å. There are one shorter (3.38 Å) and one longer (3.57 Å) Sb–I bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and two I1- atoms. There are one shorter (3.59 Å) and one longer (3.64 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.87 Å) and one longer (3.96 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.90 Å) and one longer (3.94 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and three equivalent I1- atoms. There are a spread of O–I bond distances ranging from 3.57–3.84 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and three equivalent I1- atoms. There are a spread of O–I bond distances ranging from 3.57–3.84 Å. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and two I1- atoms. There are one shorter (3.58 Å) and one longer (3.64 Å) O–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Sb3+ and eight O2- atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three Sb3+ and eight O2- atoms.« less

Publication Date:
Other Number(s):
mp-1209250
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; Sb3IO4; I-O-Sb
OSTI Identifier:
1656283
DOI:
https://doi.org/10.17188/1656283

Citation Formats

The Materials Project. Materials Data on Sb3IO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1656283.
The Materials Project. Materials Data on Sb3IO4 by Materials Project. United States. doi:https://doi.org/10.17188/1656283
The Materials Project. 2020. "Materials Data on Sb3IO4 by Materials Project". United States. doi:https://doi.org/10.17188/1656283. https://www.osti.gov/servlets/purl/1656283. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1656283,
title = {Materials Data on Sb3IO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb3O4I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.12 Å. There are one shorter (3.38 Å) and one longer (3.59 Å) Sb–I bond lengths. In the second Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.07 Å. The Sb–I bond length is 3.66 Å. In the third 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 1.98–2.30 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and one I1- atom. There are a spread of Sb–O bond distances ranging from 2.01–2.07 Å. The Sb–I bond length is 3.59 Å. In the fifth Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.29 Å. In the sixth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent I1- atoms. There are a spread of Sb–O bond distances ranging from 2.00–2.12 Å. There are one shorter (3.38 Å) and one longer (3.57 Å) Sb–I bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and two I1- atoms. There are one shorter (3.59 Å) and one longer (3.64 Å) O–I bond lengths. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.87 Å) and one longer (3.96 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and two equivalent I1- atoms. There are one shorter (3.90 Å) and one longer (3.94 Å) O–I bond lengths. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and three equivalent I1- atoms. There are a spread of O–I bond distances ranging from 3.57–3.84 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and three equivalent I1- atoms. There are a spread of O–I bond distances ranging from 3.57–3.84 Å. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. In the eighth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb3+ and two I1- atoms. There are one shorter (3.58 Å) and one longer (3.64 Å) O–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to three Sb3+ and eight O2- atoms. In the second I1- site, I1- is bonded in a 1-coordinate geometry to three Sb3+ and eight O2- atoms.},
doi = {10.17188/1656283},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}