Materials Data on LiSn by Materials Project

doi:10.17188/1189587

Title: Materials Data on LiSn by Materials Project

Dataset
Other Related Research

Abstract

LiSn crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to eight Sn atoms. There are a spread of Li–Sn bond distances ranging from 3.11–3.17 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight Sn atoms. There are four shorter (3.05 Å) and four longer (3.14 Å) Li–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Li and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing SnLi8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.05 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to eight Li and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to eight Li and two equivalent Sn atoms. There are a spread of Sn–Li bond distances ranging from 3.05–3.15 Å. Both Sn–Sn bond lengths are 3.05 Å.

Authors:: The Materials Project

Publication Date:: Wed Jul 15 00:00:00 EDT 2020

Other Number(s):: mp-13444

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; LiSn; Li-Sn

OSTI Identifier:: 1189587

DOI:: https://doi.org/10.17188/1189587

Citation Formats


                    The Materials Project. Materials Data on LiSn by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1189587.

Copy to clipboard


                    The Materials Project. Materials Data on LiSn by Materials Project.  United States.  doi:https://doi.org/10.17188/1189587

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LiSn by Materials Project".  United States.  doi:https://doi.org/10.17188/1189587.  https://www.osti.gov/servlets/purl/1189587. Pub date:Wed Jul 15 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1189587,

  title        = {Materials Data on LiSn by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiSn crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to eight Sn atoms. There are a spread of Li–Sn bond distances ranging from 3.11–3.17 Å. In the second Li site, Li is bonded in a 12-coordinate geometry to eight Sn atoms. There are four shorter (3.05 Å) and four longer (3.14 Å) Li–Sn bond lengths. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded to eight Li and four equivalent Sn atoms to form a mixture of distorted corner and face-sharing SnLi8Sn4 cuboctahedra. All Sn–Sn bond lengths are 3.05 Å. In the second Sn site, Sn is bonded in a 12-coordinate geometry to eight Li and two equivalent Sn atoms. In the third Sn site, Sn is bonded in a 12-coordinate geometry to eight Li and two equivalent Sn atoms. There are a spread of Sn–Li bond distances ranging from 3.05–3.15 Å. Both Sn–Sn bond lengths are 3.05 Å.},

  doi          = {10.17188/1189587},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2020},

  month        = {Wed Jul 15 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1189587

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiSn(PO3)3 by Materials Project

Dataset The Materials Project

LiSn(PO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 square pyramids that share corners with five PO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.51 Å. Sn2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Sn–O bond distances ranging from 2.39–2.62 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO5 square pyramids and cornersmore »« less
Materials Data on LiSn(PO3)3 by Materials Project

Dataset The Materials Project

LiSn(PO3)3 crystallizes in the hexagonal P-6c2 space group. The structure is three-dimensional. Li1+ is bonded to six equivalent O2- atoms to form LiO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with three equivalent SnO6 octahedra. All Li–O bond lengths are 2.27 Å. Sn2+ is bonded to six equivalent O2- atoms to form distorted SnO6 octahedra that share corners with six equivalent PO4 tetrahedra and edges with three equivalent LiO6 octahedra. All Sn–O bond lengths are 2.55 Å. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra,more »« less
Materials Data on LiSn(PO3)4 by Materials Project

Dataset The Materials Project

LiSn(PO3)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 trigonal pyramids that share corners with four equivalent PO4 tetrahedra and an edgeedge with one SnO6 octahedra. There are two shorter (1.94 Å) and two longer (2.13 Å) Li–O bond lengths. Sn3+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra and an edgeedge with one LiO4 trigonal pyramid. There are four shorter (2.23 Å) and two longer (2.25 Å) Sn–O bond lengths. There are two inequivalent P5+ sites.more »« less
Materials Data on LiSn(PO3)4 by Materials Project

Dataset The Materials Project

LiSn(PO3)4 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with eight PO4 tetrahedra. There are four shorter (2.15 Å) and two longer (2.52 Å) Li–O bond lengths. Sn3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.35 Å) and four longer (2.45 Å) Sn–O bond lengths. There are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with two equivalent LiO6 octahedra andmore »« less
Materials Data on LiSn(PO3)3 by Materials Project

Dataset The Materials Project

LiSn(PO3)3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six PO4 tetrahedra and edges with three equivalent SnO6 octahedra. There are a spread of Li–O bond distances ranging from 2.04–2.52 Å. Sn2+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six PO4 tetrahedra and edges with three equivalent LiO6 octahedra. There are a spread of Sn–O bond distances ranging from 2.43–2.58 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+ is bondedmore »« less

Similar Records