Materials Data on Li(CuO2)2 by Materials Project

doi:10.17188/1200598

Title: Materials Data on Li(CuO2)2 by Materials Project

Dataset
Other Related Research

Abstract

Li(CuO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded to four equivalent O atoms to form LiO4 tetrahedra that share corners with twelve equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 1.99 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CuO6 octahedra. All Cu–O bond lengths are 1.97 Å. O is bonded to one Li and three equivalent Cu atoms to form a mixture of distorted edge and corner-sharing OLiCu3 trigonal pyramids.

Publication Date:: 2020-05-02

Other Number(s):: mp-25385

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Cu-Li-O; Li(CuO2)2; crystal structure

OSTI Identifier:: 1200598

DOI:: https://doi.org/10.17188/1200598

Citation Formats


                    Materials Data on Li(CuO2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1200598.

Copy to clipboard


                    Materials Data on Li(CuO2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1200598

Copy to clipboard


                    2020.  
"Materials Data on Li(CuO2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1200598.  https://www.osti.gov/servlets/purl/1200598. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1200598,

  title        = {Materials Data on Li(CuO2)2 by Materials Project},

  
  abstractNote = {Li(CuO2)2 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Li is bonded to four equivalent O atoms to form LiO4 tetrahedra that share corners with twelve equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 59°. All Li–O bond lengths are 1.99 Å. Cu is bonded to six equivalent O atoms to form CuO6 octahedra that share corners with six equivalent LiO4 tetrahedra and edges with six equivalent CuO6 octahedra. All Cu–O bond lengths are 1.97 Å. O is bonded to one Li and three equivalent Cu atoms to form a mixture of distorted edge and corner-sharing OLiCu3 trigonal pyramids.},

  doi          = {10.17188/1200598},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1200598

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Cd(CuO2)2 by Materials Project

Dataset

Cd(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. In the second Cu3+ site, Cu3+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.85 Å) and two longer (1.86 Å) Cu–O bond length. Cd2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Cd–O bond distances rangingmore »« less
Materials Data on Zn(CuO2)2 by Materials Project

Dataset

Zn(CuO2)2 is Spinel-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are twelve inequivalent Cu3+ sites. In the first Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three CuO4 tetrahedra, corners with three ZnO4 tetrahedra, edges with two equivalent ZnO6 octahedra, and edges with four CuO6 octahedra. There are a spread of Cu–O bond distances ranging from 1.96–2.09 Å. In the second Cu3+ site, Cu3+ is bonded to six O2- atoms to form CuO6 octahedra that share corners with three equivalent CuO4 tetrahedra, corners withmore »« less
Materials Data on Mg(CuO2)2 by Materials Project

Dataset

MgCu2O4 is Spinel-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are eight inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to four O2- atoms to form MgO4 tetrahedra that share corners with three MgO6 octahedra and corners with nine CuO6 octahedra. The corner-sharing octahedra tilt angles range from 56–60°. There is three shorter (1.98 Å) and one longer (2.01 Å) Mg–O bond length. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with three MgO4 tetrahedra, corners with three CuO4more »« less
Materials Data on Tm(CuO2)2 by Materials Project

Dataset

Tm(CuO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are six shorter (2.35 Å) and two longer (2.37 Å) Tm–O bond lengths. There are two inequivalent Cu+2.50+ sites. In the first Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.89 Å) Cu–O bond length. In the second Cu+2.50+ site, Cu+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There is two shorter (1.91 Å) and two longermore »« less
Materials Data on Na3(CuO2)2 by Materials Project

Dataset

Na3Cu2O4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share a cornercorner with one NaO6 octahedra, corners with two equivalent NaO4 tetrahedra, edges with two equivalent NaO6 octahedra, and edges with two equivalent NaO4 tetrahedra. The corner-sharing octahedral tilt angles are 29°. There are a spread of Na–O bond distances ranging from 2.26–2.35 Å. In the second Na1+ site, Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that sharemore »« less

Similar Records