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Title: Materials Data on Li(CO)2 by Materials Project

Abstract

Li(CO)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Li(CO)2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.02 Å) Li–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one C atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one C atom.

Publication Date:
Other Number(s):
mp-546920
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; Li(CO)2; C-Li-O
OSTI Identifier:
1267261
DOI:
10.17188/1267261

Citation Formats

The Materials Project. Materials Data on Li(CO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267261.
The Materials Project. Materials Data on Li(CO)2 by Materials Project. United States. doi:10.17188/1267261.
The Materials Project. 2020. "Materials Data on Li(CO)2 by Materials Project". United States. doi:10.17188/1267261. https://www.osti.gov/servlets/purl/1267261. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267261,
title = {Materials Data on Li(CO)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Li(CO)2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two Li(CO)2 ribbons oriented in the (0, 0, 1) direction. Li is bonded to four O atoms to form a mixture of edge and corner-sharing LiO4 tetrahedra. There are two shorter (1.98 Å) and two longer (2.02 Å) Li–O bond lengths. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.27 Å. In the second C site, C is bonded in a distorted single-bond geometry to one O atom. The C–O bond length is 1.26 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted T-shaped geometry to two equivalent Li and one C atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one C atom.},
doi = {10.17188/1267261},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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