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Title: Materials Data on Li2Co(SO4)2 by Materials Project

Abstract

Li2Co(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one CoO6 octahedra, corners with three equivalent SO4 tetrahedra, an edgeedge with one CoO6 octahedra, an edgeedge with one LiO5 square pyramid, and an edgeedge with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Li–O bond distances ranging from 1.92–2.21 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent LiO5 square pyramids, corners with six equivalent SO4 tetrahedra, and edges with two equivalent LiO5 square pyramids. There are a spread of Co–O bond distances ranging from 2.10–2.18 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CoO6 octahedra, corners with three equivalent LiO5 square pyramids, and an edgeedge with one LiO5 square pyramid. The corner-sharing octahedra tilt angles range from 37–53°. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalentmore » Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co2+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Co2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co2+, and one S6+ atom.« less

Publication Date:
Other Number(s):
mp-1194281
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; Li2Co(SO4)2; Co-Li-O-S
OSTI Identifier:
1699595
DOI:
https://doi.org/10.17188/1699595

Citation Formats

The Materials Project. Materials Data on Li2Co(SO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1699595.
The Materials Project. Materials Data on Li2Co(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1699595
The Materials Project. 2019. "Materials Data on Li2Co(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1699595. https://www.osti.gov/servlets/purl/1699595. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1699595,
title = {Materials Data on Li2Co(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li2Co(SO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Li1+ is bonded to five O2- atoms to form distorted LiO5 square pyramids that share a cornercorner with one CoO6 octahedra, corners with three equivalent SO4 tetrahedra, an edgeedge with one CoO6 octahedra, an edgeedge with one LiO5 square pyramid, and an edgeedge with one SO4 tetrahedra. The corner-sharing octahedral tilt angles are 59°. There are a spread of Li–O bond distances ranging from 1.92–2.21 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with two equivalent LiO5 square pyramids, corners with six equivalent SO4 tetrahedra, and edges with two equivalent LiO5 square pyramids. There are a spread of Co–O bond distances ranging from 2.10–2.18 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CoO6 octahedra, corners with three equivalent LiO5 square pyramids, and an edgeedge with one LiO5 square pyramid. The corner-sharing octahedra tilt angles range from 37–53°. There are a spread of S–O bond distances ranging from 1.47–1.50 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one S6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co2+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one Li1+, one Co2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co2+, and one S6+ atom.},
doi = {10.17188/1699595},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}