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Title: Materials Data on H7SIO10 by Materials Project

Abstract

H7SO10I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. In the fifth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the seventh H site, H is bonded in a single-bond geometry to onemore » O atom. The H–O bond length is 1.01 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.57 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two H and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two H and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.93 Å. In the eighth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one H and one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. I is bonded in an octahedral geometry to six O atoms.« less

Publication Date:
Other Number(s):
mp-849800
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; H7SIO10; H-I-O-S
OSTI Identifier:
1308416
DOI:
https://doi.org/10.17188/1308416

Citation Formats

The Materials Project. Materials Data on H7SIO10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308416.
The Materials Project. Materials Data on H7SIO10 by Materials Project. United States. doi:https://doi.org/10.17188/1308416
The Materials Project. 2020. "Materials Data on H7SIO10 by Materials Project". United States. doi:https://doi.org/10.17188/1308416. https://www.osti.gov/servlets/purl/1308416. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1308416,
title = {Materials Data on H7SIO10 by Materials Project},
author = {The Materials Project},
abstractNote = {H7SO10I crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are seven inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.71 Å) H–O bond length. In the second H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.67 Å) H–O bond length. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.74 Å) H–O bond length. In the fifth H site, H is bonded in a distorted single-bond geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.68 Å) H–O bond length. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.00 Å. In the seventh H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 1.01 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.57 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two H and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the third O site, O is bonded in a distorted single-bond geometry to one S atom. In the fourth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the fifth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.90 Å. In the sixth O site, O is bonded in a distorted single-bond geometry to two H and one S atom. In the seventh O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.93 Å. In the eighth O site, O is bonded in a distorted water-like geometry to one H and one I atom. The O–I bond length is 1.92 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one H and one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to one H and one I atom. The O–I bond length is 1.90 Å. I is bonded in an octahedral geometry to six O atoms.},
doi = {10.17188/1308416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}