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Title: Materials Data on Sr4LiCu(CO5)2 by Materials Project

Abstract

LiSr4Cu(CO5)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.20 Å) Li–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.84 Å. Cu3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.85 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, four equivalent Sr2+, and one Cu3+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4LiCu octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four equivalent Sr2+, and one C4+ atom.

Publication Date:
Other Number(s):
mp-753353
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; Sr4LiCu(CO5)2; C-Cu-Li-O-Sr
OSTI Identifier:
1288998
DOI:
https://doi.org/10.17188/1288998

Citation Formats

The Materials Project. Materials Data on Sr4LiCu(CO5)2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1288998.
The Materials Project. Materials Data on Sr4LiCu(CO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1288998
The Materials Project. 2017. "Materials Data on Sr4LiCu(CO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1288998. https://www.osti.gov/servlets/purl/1288998. Pub date:Wed May 10 00:00:00 EDT 2017
@article{osti_1288998,
title = {Materials Data on Sr4LiCu(CO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {LiSr4Cu(CO5)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Li1+ is bonded in an octahedral geometry to six O2- atoms. There are four shorter (2.09 Å) and two longer (2.20 Å) Li–O bond lengths. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.58–2.84 Å. Cu3+ is bonded in a rectangular see-saw-like geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.85 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.30 Å) and one longer (1.31 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to one Li1+, four equivalent Sr2+, and one Cu3+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4LiCu octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Sr2+ and one C4+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Li1+, four equivalent Sr2+, and one C4+ atom.},
doi = {10.17188/1288998},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}