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Title: Materials Data on Sn3(HO2)2 by Materials Project

Abstract

Sn3(HO2)2 is Indium structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Sn3(HO2)2 clusters. there are six inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.14–2.37 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.17 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.71 Å. In the fifth Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.13–2.18 Å. In the sixth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.44 Å.more » There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Sn2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Sn2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Sn2+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-625789
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; Sn3(HO2)2; H-O-Sn
OSTI Identifier:
1278466
DOI:
https://doi.org/10.17188/1278466

Citation Formats

The Materials Project. Materials Data on Sn3(HO2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1278466.
The Materials Project. Materials Data on Sn3(HO2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1278466
The Materials Project. 2020. "Materials Data on Sn3(HO2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1278466. https://www.osti.gov/servlets/purl/1278466. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1278466,
title = {Materials Data on Sn3(HO2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn3(HO2)2 is Indium structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Sn3(HO2)2 clusters. there are six inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.45 Å. In the second Sn2+ site, Sn2+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.14–2.37 Å. In the third Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.11–2.17 Å. In the fourth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.71 Å. In the fifth Sn2+ site, Sn2+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of Sn–O bond distances ranging from 2.13–2.18 Å. In the sixth Sn2+ site, Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.15–2.44 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 1.00 Å. In the third H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Sn2+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two Sn2+ and one H1+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Sn2+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two Sn2+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the sixth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the seventh O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the eighth O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms.},
doi = {10.17188/1278466},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}