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Title: Materials Data on Li2CuSnO4 by Materials Project

Abstract

Li2CuSnO4 is Caswellsilverite-derived structured and crystallizes in the tetragonal I-4m2 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 LiO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.10 Å) and two longer (2.31 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.09 Å) and two longer (2.52 Å) Li–O bond lengths. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent CuO6 octahedra, edges with four equivalent SnO6 octahedra, and edges with eight LiO6more » octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.10 Å) and two longer (2.28 Å) Cu–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent SnO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, one Cu2+, and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six equivalent OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. The O–Li bond length is 2.52 Å. The O–Sn bond length is 2.08 Å. In the fourth O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are two shorter (2.10 Å) and one longer (2.52 Å) O–Li bond lengths. Both O–Cu bond lengths are 2.10 Å. The O–Sn bond length is 2.08 Å.« less

Publication Date:
Other Number(s):
mp-1177995
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; Li2CuSnO4; Cu-Li-O-Sn
OSTI Identifier:
1680302
DOI:
https://doi.org/10.17188/1680302

Citation Formats

The Materials Project. Materials Data on Li2CuSnO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680302.
The Materials Project. Materials Data on Li2CuSnO4 by Materials Project. United States. doi:https://doi.org/10.17188/1680302
The Materials Project. 2020. "Materials Data on Li2CuSnO4 by Materials Project". United States. doi:https://doi.org/10.17188/1680302. https://www.osti.gov/servlets/purl/1680302. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680302,
title = {Materials Data on Li2CuSnO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2CuSnO4 is Caswellsilverite-derived structured and crystallizes in the tetragonal I-4m2 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 LiO6 octahedra that share corners with two equivalent CuO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.10 Å) and two longer (2.31 Å) Li–O bond lengths. In the second Li1+ site, Li1+ is bonded to six O2- atoms to form LiO6 octahedra that share corners with two equivalent SnO6 octahedra, corners with four equivalent LiO6 octahedra, edges with four equivalent LiO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with four equivalent SnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.09 Å) and two longer (2.52 Å) Li–O bond lengths. Cu2+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent CuO6 octahedra, edges with four equivalent SnO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are four shorter (2.10 Å) and two longer (2.28 Å) Cu–O bond lengths. Sn4+ is bonded to six O2- atoms to form SnO6 octahedra that share corners with two equivalent LiO6 octahedra, corners with four equivalent SnO6 octahedra, edges with four equivalent CuO6 octahedra, and edges with eight LiO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are two shorter (2.08 Å) and four longer (2.09 Å) Sn–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Li1+, one Cu2+, and two equivalent Sn4+ atoms to form a mixture of edge and corner-sharing OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six equivalent OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. In the third O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. The O–Li bond length is 2.52 Å. The O–Sn bond length is 2.08 Å. In the fourth O2- site, O2- is bonded to three Li1+, two equivalent Cu2+, and one Sn4+ atom to form OLi3Cu2Sn octahedra that share corners with six OLi3Cu2Sn octahedra and edges with twelve OLi3CuSn2 octahedra. The corner-sharing octahedra tilt angles range from 0–12°. There are two shorter (2.10 Å) and one longer (2.52 Å) O–Li bond lengths. Both O–Cu bond lengths are 2.10 Å. The O–Sn bond length is 2.08 Å.},
doi = {10.17188/1680302},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}