Materials Data on Sn7(SO10)2 by Materials Project

doi:10.17188/1732366

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

Dataset
Other Related Research

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 »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1179547

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; Sn7(SO10)2; O-S-Sn

OSTI Identifier:: 1732366

DOI:: https://doi.org/10.17188/1732366

Citation Formats


                    The Materials Project. Materials Data on Sn7(SO10)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1732366.

Copy to clipboard


                    The Materials Project. Materials Data on Sn7(SO10)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1732366

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sn7(SO10)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1732366.  https://www.osti.gov/servlets/purl/1732366. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@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},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1732366

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on NaAlH24(SO10)2 by Materials Project

Dataset The Materials Project

NaAl(H2O)12(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional and consists of eight sulfuric acid molecules and one NaAl(H2O)12 framework. In the NaAl(H2O)12 framework, Na1+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.51 Å. Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.91 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.02 Å) and one longer (1.60 Å) H–Omore »« less
Materials Data on Ru7C20(SO10)2 by Materials Project

Dataset The Materials Project

(Ru)2Ru5CS2O(CO)19 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of seventy-six formaldehyde molecules, eight ruthenium molecules, and four Ru5CS2O clusters. In each Ru5CS2O cluster, there are five inequivalent Ru+2.86+ sites. In the first Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.44 Å. In the second Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. In the third Ru+2.86+ site, Ru+2.86+ is bonded in amore »« less
Materials Data on CsMnH24(SO10)2 by Materials Project

Dataset The Materials Project

CsMnH24(SO10)2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two CsMnH24(SO10)2 sheets oriented in the (0, 0, 1) direction. Cs1+ is bonded to twelve O2- atoms to form distorted CsO12 cuboctahedra that share faces with two equivalent SO4 tetrahedra. There are a spread of Cs–O bond distances ranging from 3.29–3.58 Å. Mn3+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (1.95 Å) and two longer (2.15 Å) Mn–O bond lengths. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometrymore »« less
Materials Data on CsAlH24(SO10)2 by Materials Project

Dataset The Materials Project

Cs(H2O)6AlO6(H2)6(SO4)2 crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of twenty-four hydrogen molecules, eight sulfuric acid molecules, four AlO6 clusters, and four Cs(H2O)6 clusters. In each AlO6 cluster, Al3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Al–O bond lengths are 1.86 Å. O2- is bonded in a single-bond geometry to one Al3+ atom. In each Cs(H2O)6 cluster, Cs1+ is bonded in a hexagonal planar geometry to six equivalent O2- atoms. All Cs–O bond lengths are 3.71 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ ismore »« less
Materials Data on CsMnH24(SO10)2 by Materials Project

Dataset The Materials Project

CsMnH24(SO10)2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share faces with two equivalent SO4 tetrahedra. There are six shorter (3.37 Å) and six longer (3.51 Å) Cs–O bond lengths. Mn3+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Mn–O bond lengths are 2.01 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 0.99 Å. In the second H1+ site, H1+ ismore »« less

Similar Records