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

Dataset ·
DOI:https://doi.org/10.17188/1278466· OSTI ID:1278466

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.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1278466
Report Number(s):
mp-625789
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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