Materials Data on Li2Sn(OF3)2 by Materials Project

doi:10.17188/1675387

Title: Materials Data on Li2Sn(OF3)2 by Materials Project

Dataset
Other Related Research

Abstract

Li2Sn(OF3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded to two equivalent O and four F atoms to form LiO2F4 octahedra that share corners with four equivalent SnF6 octahedra and edges with two equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–57°. Both Li–O bond lengths are 2.14 Å. There are two shorter (1.98 Å) and two longer (2.09 Å) Li–F bond lengths. Sn is bonded to six F atoms to form SnF6 octahedra that share corners with eight equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–57°. There are four shorter (1.99 Å) and two longer (2.03 Å) Sn–F bond lengths. O is bonded in a water-like geometry to two equivalent Li atoms. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Li and one Sn atom. In the second F site, F is bonded in a trigonal planar geometry to two equivalent Li and one Sn atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1101763

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; Li2Sn(OF3)2; F-Li-O-Sn

OSTI Identifier:: 1675387

DOI:: https://doi.org/10.17188/1675387

Citation Formats


                    The Materials Project. Materials Data on Li2Sn(OF3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1675387.

Copy to clipboard


                    The Materials Project. Materials Data on Li2Sn(OF3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675387

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Li2Sn(OF3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675387.  https://www.osti.gov/servlets/purl/1675387. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1675387,

  title        = {Materials Data on Li2Sn(OF3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2Sn(OF3)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded to two equivalent O and four F atoms to form LiO2F4 octahedra that share corners with four equivalent SnF6 octahedra and edges with two equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–57°. Both Li–O bond lengths are 2.14 Å. There are two shorter (1.98 Å) and two longer (2.09 Å) Li–F bond lengths. Sn is bonded to six F atoms to form SnF6 octahedra that share corners with eight equivalent LiO2F4 octahedra. The corner-sharing octahedra tilt angles range from 38–57°. There are four shorter (1.99 Å) and two longer (2.03 Å) Sn–F bond lengths. O is bonded in a water-like geometry to two equivalent Li atoms. There are two inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to one Li and one Sn atom. In the second F site, F is bonded in a trigonal planar geometry to two equivalent Li and one Sn atom.},

  doi          = {10.17188/1675387},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1675387

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Li2Sn(BO3)2 by Materials Project

Dataset The Materials Project

Li2Sn(BO3)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Li–O bond distances ranging from 1.91–2.11 Å. In the second Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with three equivalent SnO5 trigonal bipyramids. There are a spread of Li–O bond distances ranging from 1.89–2.10 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bondedmore »« less
Materials Data on Li2Sn(BO3)2 by Materials Project

Dataset The Materials Project

Li2Sn(BO3)2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to five O2- atoms to form distorted LiO5 trigonal bipyramids that share an edgeedge with one SnO6 octahedra and an edgeedge with one SnO5 trigonal bipyramid. There are a spread of Li–O bond distances ranging from 2.01–2.53 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–2.61 Å. In the third Li1+ site, Li1+ is bondedmore »« less
Materials Data on Li2Sn(H5O4)2 by Materials Project

Dataset The Materials Project

Li2Sn(H5O4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with three equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 51–54°. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six equivalent LiO4 tetrahedra. There are a spread of Sn–O bond distances ranging from 2.09–2.12 Å. There are five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometrymore »« less
Materials Data on Li2Sn(SO4)2 by Materials Project

Dataset The Materials Project

Li2Sn(SO4)2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form distorted LiO6 pentagonal pyramids that share corners with four equivalent SnO6 octahedra, corners with two SO4 tetrahedra, and edges with two SO4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–60°. There are a spread of Li–O bond distances ranging from 2.12–2.55 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Li–O bond distances rangingmore »« less
Materials Data on Li2Sn(BO3)2 by Materials Project

Dataset The Materials Project

Li2Sn(BO3)2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with two equivalent SnO6 octahedra, a cornercorner with one SnO7 pentagonal bipyramid, and a cornercorner with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 71–79°. There are a spread of Li–O bond distances ranging from 1.89–2.03 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Li–O bondmore »« less

Similar Records