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Title: Materials Data on SnS6N2O21 by Materials Project

Abstract

N2Sn(S2O7)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two Sn(S2O7)3 clusters. In each Sn(S2O7)3 cluster, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.09 Å. There are six inequivalent S+4.67+ sites. In the first S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of S–O bond distances ranging from 1.44–1.64 Å. In the second S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of S–O bond distances ranging from 1.44–1.63 Å. In the third S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°.more » There are a spread of S–O bond distances ranging from 1.44–1.63 Å. In the fourth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of S–O bond distances ranging from 1.43–1.68 Å. In the fifth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of S–O bond distances ranging from 1.43–1.68 Å. In the sixth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of S–O bond distances ranging from 1.43–1.69 Å. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the seventeenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom.« 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:
1699781
Report Number(s):
mp-1205100
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; SnS6N2O21; N-O-S-Sn

Citation Formats

The Materials Project. Materials Data on SnS6N2O21 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699781.
The Materials Project. Materials Data on SnS6N2O21 by Materials Project. United States. https://doi.org/10.17188/1699781
The Materials Project. 2020. "Materials Data on SnS6N2O21 by Materials Project". United States. https://doi.org/10.17188/1699781. https://www.osti.gov/servlets/purl/1699781.
@article{osti_1699781,
title = {Materials Data on SnS6N2O21 by Materials Project},
author = {The Materials Project},
abstractNote = {N2Sn(S2O7)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four ammonia molecules and two Sn(S2O7)3 clusters. In each Sn(S2O7)3 cluster, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six SO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.07–2.09 Å. There are six inequivalent S+4.67+ sites. In the first S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of S–O bond distances ranging from 1.44–1.64 Å. In the second S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of S–O bond distances ranging from 1.44–1.63 Å. In the third S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of S–O bond distances ranging from 1.44–1.63 Å. In the fourth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of S–O bond distances ranging from 1.43–1.68 Å. In the fifth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of S–O bond distances ranging from 1.43–1.68 Å. In the sixth S+4.67+ site, S+4.67+ is bonded to four O2- atoms to form SO4 tetrahedra that share a cornercorner with one SnO6 octahedra and a cornercorner with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are a spread of S–O bond distances ranging from 1.43–1.69 Å. There are twenty-one inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two S+4.67+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Sn4+ and one S+4.67+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twelfth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the thirteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the fourteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the fifteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the sixteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the seventeenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the eighteenth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sn4+ and one S+4.67+ atom. In the nineteenth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twentieth O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom. In the twenty-first O2- site, O2- is bonded in a single-bond geometry to one S+4.67+ atom.},
doi = {10.17188/1699781},
url = {https://www.osti.gov/biblio/1699781}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}