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Title: Materials Data on Li2Co3SnO8 by Materials Project

Abstract

Li2Co3SnO8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m 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 and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are three shorter (1.91 Å) and one longer (2.29 Å) Li–O bond lengths. Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CoO6 octahedra. There is two shorter (1.91 Å) and four longer (1.92 Å) Co–O bond length. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Sn–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Co+3.33+, and one Sn4+ atom to form distorted OLiCo2Sn trigonal pyramids that share corners with three equivalent OLiCo3 tetrahedra, corners with nine equivalent OLiCo2Sn trigonal pyramids, an edgeedge with one OLiCo3 tetrahedra, and edges with two equivalentmore » OLiCo2Sn trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Co+3.33+ atoms to form distorted OLiCo3 tetrahedra that share corners with three equivalent OLiCo3 tetrahedra, corners with nine equivalent OLiCo2Sn trigonal pyramids, and edges with three equivalent OLiCo2Sn trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-765424
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Li2Co3SnO8; Co-Li-O-Sn
OSTI Identifier:
1296034
DOI:
10.17188/1296034

Citation Formats

The Materials Project. Materials Data on Li2Co3SnO8 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1296034.
The Materials Project. Materials Data on Li2Co3SnO8 by Materials Project. United States. doi:10.17188/1296034.
The Materials Project. 2017. "Materials Data on Li2Co3SnO8 by Materials Project". United States. doi:10.17188/1296034. https://www.osti.gov/servlets/purl/1296034. Pub date:Fri Jul 21 00:00:00 EDT 2017
@article{osti_1296034,
title = {Materials Data on Li2Co3SnO8 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Co3SnO8 is Hausmannite-derived structured and crystallizes in the trigonal R-3m 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 and corners with nine equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 58–62°. There are three shorter (1.91 Å) and one longer (2.29 Å) Li–O bond lengths. Co+3.33+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent LiO4 tetrahedra, edges with two equivalent SnO6 octahedra, and edges with four equivalent CoO6 octahedra. There is two shorter (1.91 Å) and four longer (1.92 Å) Co–O bond length. Sn4+ is bonded to six equivalent O2- atoms to form SnO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CoO6 octahedra. All Sn–O bond lengths are 2.08 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, two equivalent Co+3.33+, and one Sn4+ atom to form distorted OLiCo2Sn trigonal pyramids that share corners with three equivalent OLiCo3 tetrahedra, corners with nine equivalent OLiCo2Sn trigonal pyramids, an edgeedge with one OLiCo3 tetrahedra, and edges with two equivalent OLiCo2Sn trigonal pyramids. In the second O2- site, O2- is bonded to one Li1+ and three equivalent Co+3.33+ atoms to form distorted OLiCo3 tetrahedra that share corners with three equivalent OLiCo3 tetrahedra, corners with nine equivalent OLiCo2Sn trigonal pyramids, and edges with three equivalent OLiCo2Sn trigonal pyramids.},
doi = {10.17188/1296034},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}

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