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Title: Materials Data on Sn7(SO10)2 by Materials Project

Abstract

Sn7(SO10)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Sn–O bond distances ranging from 1.92–2.09 Å. In the second Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 1.91–2.09 Å. In the third Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Sn–O bond distances ranging from 1.92–2.09 Å. In the fourth Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra.more » There are four shorter (2.07 Å) and two longer (2.08 Å) Sn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three SnO4 tetrahedra. There is one shorter (1.43 Å) and three longer (1.52 Å) S–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1732366
Report Number(s):
mp-1179547
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Sn7(SO10)2; O-S-Sn

Citation Formats

The Materials Project. Materials Data on Sn7(SO10)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732366.
The Materials Project. Materials Data on Sn7(SO10)2 by Materials Project. United States. https://doi.org/10.17188/1732366
The Materials Project. 2020. "Materials Data on Sn7(SO10)2 by Materials Project". United States. https://doi.org/10.17188/1732366. https://www.osti.gov/servlets/purl/1732366.
@article{osti_1732366,
title = {Materials Data on Sn7(SO10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Sn7(SO10)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Sn–O bond distances ranging from 1.92–2.09 Å. In the second Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Sn–O bond distances ranging from 1.91–2.09 Å. In the third Sn4+ site, Sn4+ is bonded to four O2- atoms to form SnO4 tetrahedra that share a cornercorner with one SnO6 octahedra, a cornercorner with one SO4 tetrahedra, and corners with two SnO4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Sn–O bond distances ranging from 1.92–2.09 Å. In the fourth Sn4+ site, Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. There are four shorter (2.07 Å) and two longer (2.08 Å) Sn–O bond lengths. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three SnO4 tetrahedra. There is one shorter (1.43 Å) and three longer (1.52 Å) S–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S6+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the fifth O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the eighth O2- site, O2- is bonded in a bent 120 degrees geometry to two Sn4+ atoms. In the ninth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S6+ atom. In the tenth O2- site, O2- is bonded in a linear geometry to two Sn4+ atoms.},
doi = {10.17188/1732366},
url = {https://www.osti.gov/biblio/1732366}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}