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Title: Materials Data on Sb5IO7 by Materials Project

Abstract

Sb5O7I crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are ten inequivalent Sb3+ sites. In the first 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 1.98–2.12 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 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the fifth 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 (2.07 Å) Sb–O bond lengths. In the sixth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the seventh Sb3+ site, Sb3+ is bonded in amore » distorted T-shaped geometry to three O2- atoms. There are one shorter (2.00 Å) and two longer (2.02 Å) Sb–O bond lengths. In the eighth 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 ninth 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 2.00–2.03 Å. In the tenth 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 2.00–2.03 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. 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 3.81 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.84 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.90 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.76 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 3.87 Å. In the eighth 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 3.76 Å. In the ninth 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 3.81 Å. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.88 Å. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.94 Å. In the twelfth 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 3.68 Å. In the thirteenth 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 3.65 Å. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six O2- atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six O2- atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1195086
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:
1744152
DOI:
https://doi.org/10.17188/1744152

Citation Formats

The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1744152.
The Materials Project. Materials Data on Sb5IO7 by Materials Project. United States. doi:https://doi.org/10.17188/1744152
The Materials Project. 2020. "Materials Data on Sb5IO7 by Materials Project". United States. doi:https://doi.org/10.17188/1744152. https://www.osti.gov/servlets/purl/1744152. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1744152,
title = {Materials Data on Sb5IO7 by Materials Project},
author = {The Materials Project},
abstractNote = {Sb5O7I crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are ten inequivalent Sb3+ sites. In the first 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 1.98–2.12 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 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the fourth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the fifth 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 (2.07 Å) Sb–O bond lengths. In the sixth Sb3+ site, Sb3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Sb–O bond distances ranging from 1.98–2.10 Å. In the seventh Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (2.00 Å) and two longer (2.02 Å) Sb–O bond lengths. In the eighth 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 ninth 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 2.00–2.03 Å. In the tenth 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 2.00–2.03 Å. There are fourteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Sb3+ atoms. 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 3.81 Å. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.84 Å. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.90 Å. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.76 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 3.87 Å. In the eighth 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 3.76 Å. In the ninth 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 3.81 Å. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.88 Å. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.94 Å. In the twelfth 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 3.68 Å. In the thirteenth 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 3.65 Å. In the fourteenth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb3+ and one I1- atom. The O–I bond length is 3.91 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 6-coordinate geometry to six O2- atoms. In the second I1- site, I1- is bonded in a 6-coordinate geometry to six O2- atoms.},
doi = {10.17188/1744152},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}