Materials Data on Li2SnO4 by Materials Project

doi:10.17188/1675734

Title: Materials Data on Li2SnO4 by Materials Project

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Abstract

Li2SnO4 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with six equivalent SnO6 octahedra, corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2SnO tetrahedra, and an edgeedge with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–75°. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with two equivalent OLi2SnO tetrahedra, corners with twelve equivalent LiO4 tetrahedra, and edges with two equivalent SnO6 octahedra. There are four shorter (2.09 Å) and two longer (2.18 Å) Sn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Sn atoms to form a mixture of distorted corner and edge-sharing OLi2Sn2 tetrahedra. In the second O site, O is bonded to two equivalent Li, one Sn, and one O atom to form distorted OLi2SnO tetrahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent LiO4 tetrahedra, and corners with eleven OLi2Sn2 tetrahedra. The corner-sharing octahedralmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1222981

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; Li2SnO4; Li-O-Sn

OSTI Identifier:: 1675734

DOI:: https://doi.org/10.17188/1675734

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                    The Materials Project. Materials Data on Li2SnO4 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1675734.

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                    The Materials Project. Materials Data on Li2SnO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1675734

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                    The Materials Project. 2019.  
"Materials Data on Li2SnO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1675734.  https://www.osti.gov/servlets/purl/1675734. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1675734,

  title        = {Materials Data on Li2SnO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2SnO4 is Hausmannite-derived structured and crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li is bonded to four O atoms to form LiO4 tetrahedra that share corners with six equivalent SnO6 octahedra, corners with two equivalent LiO4 tetrahedra, corners with two equivalent OLi2SnO tetrahedra, and an edgeedge with one LiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 46–75°. There are a spread of Li–O bond distances ranging from 1.95–2.01 Å. Sn is bonded to six O atoms to form SnO6 octahedra that share corners with two equivalent OLi2SnO tetrahedra, corners with twelve equivalent LiO4 tetrahedra, and edges with two equivalent SnO6 octahedra. There are four shorter (2.09 Å) and two longer (2.18 Å) Sn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Li and two equivalent Sn atoms to form a mixture of distorted corner and edge-sharing OLi2Sn2 tetrahedra. In the second O site, O is bonded to two equivalent Li, one Sn, and one O atom to form distorted OLi2SnO tetrahedra that share a cornercorner with one SnO6 octahedra, corners with two equivalent LiO4 tetrahedra, and corners with eleven OLi2Sn2 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The O–O bond length is 1.50 Å.},

  doi          = {10.17188/1675734},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1675734

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