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Title: Materials Data on LiCoSiO4 by Materials Project

Abstract

LiCoSiO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent CoO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one CoO4 tetrahedra. There are three shorter (2.01 Å) and one longer (2.02 Å) Li–O bond lengths. Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.86 Å) and two longer (1.88 Å) Co–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent CoO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the third O2-more » site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom.« less

Publication Date:
Other Number(s):
mp-763240
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; LiCoSiO4; Co-Li-O-Si
OSTI Identifier:
1293334
DOI:
https://doi.org/10.17188/1293334

Citation Formats

The Materials Project. Materials Data on LiCoSiO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1293334.
The Materials Project. Materials Data on LiCoSiO4 by Materials Project. United States. doi:https://doi.org/10.17188/1293334
The Materials Project. 2020. "Materials Data on LiCoSiO4 by Materials Project". United States. doi:https://doi.org/10.17188/1293334. https://www.osti.gov/servlets/purl/1293334. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1293334,
title = {Materials Data on LiCoSiO4 by Materials Project},
author = {The Materials Project},
abstractNote = {LiCoSiO4 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with two equivalent CoO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one CoO4 tetrahedra. There are three shorter (2.01 Å) and one longer (2.02 Å) Li–O bond lengths. Co3+ is bonded to four O2- atoms to form CoO4 tetrahedra that share corners with two equivalent LiO4 tetrahedra, corners with four equivalent SiO4 tetrahedra, and an edgeedge with one LiO4 tetrahedra. There is two shorter (1.86 Å) and two longer (1.88 Å) Co–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent CoO4 tetrahedra. There is two shorter (1.64 Å) and two longer (1.65 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the third O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to one Li1+, one Co3+, and one Si4+ atom.},
doi = {10.17188/1293334},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}