U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-753353
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- 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}
}