Materials Data on Li2SnO3 by Materials Project

doi:10.17188/1206991

Title: Materials Data on Li2SnO3 by Materials Project

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Abstract

Li2SnO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Li–O bond distances ranging from 2.18–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.14–2.27 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six SnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.21–2.25 Å. There are two inequivalent Sn4+ sites.more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-3540

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; Li2SnO3; Li-O-Sn

OSTI Identifier:: 1206991

DOI:: https://doi.org/10.17188/1206991

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                    The Materials Project. Materials Data on Li2SnO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206991.

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                    The Materials Project. Materials Data on Li2SnO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206991

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                    The Materials Project. 2020.  
"Materials Data on Li2SnO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206991.  https://www.osti.gov/servlets/purl/1206991. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1206991,

  title        = {Materials Data on Li2SnO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Li2SnO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Li–O bond distances ranging from 2.18–2.29 Å. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four SnO6 octahedra, edges with four SnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.14–2.27 Å. In the third Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with six LiO6 octahedra, edges with six LiO6 octahedra, and edges with six SnO6 octahedra. The corner-sharing octahedral tilt angles are 5°. There are a spread of Li–O bond distances ranging from 2.21–2.25 Å. There are two inequivalent Sn4+ sites. In the first Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are four shorter (2.10 Å) and two longer (2.11 Å) Sn–O bond lengths. In the second Sn4+ site, Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with six LiO6 octahedra, edges with three equivalent SnO6 octahedra, and edges with nine LiO6 octahedra. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of Sn–O bond distances ranging from 2.09–2.11 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Li1+ and two Sn4+ atoms to form a mixture of corner and edge-sharing OLi4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. In the second O2- site, O2- is bonded to four Li1+ and two Sn4+ atoms to form a mixture of corner and edge-sharing OLi4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the third O2- site, O2- is bonded to four Li1+ and two Sn4+ atoms to form a mixture of corner and edge-sharing OLi4Sn2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°.},

  doi          = {10.17188/1206991},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

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

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

}

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DOI: https://doi.org/10.17188/1206991

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