Materials Data on LiO2 by Materials Project

doi:10.17188/1679773

Title: Materials Data on LiO2 by Materials Project

Dataset
Other Related Research

Abstract

LiO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 2.09–2.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to four equivalent Li and two equivalent O atoms. Both O–O bond lengths are 1.75 Å. In the second O site, O is bonded in a 4-coordinate geometry to four equivalent Li and two equivalent O atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-1094135

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; Li-O; LiO2; crystal structure

OSTI Identifier:: 1679773

DOI:: https://doi.org/10.17188/1679773

Citation Formats


                    Materials Data on LiO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679773.

Copy to clipboard


                    Materials Data on LiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679773

Copy to clipboard


                    2020.  
"Materials Data on LiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679773.  https://www.osti.gov/servlets/purl/1679773. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1679773,

  title        = {Materials Data on LiO2 by Materials Project},

  
  abstractNote = {LiO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Li–O bond distances ranging from 2.09–2.27 Å. There are two inequivalent O sites. In the first O site, O is bonded in a 6-coordinate geometry to four equivalent Li and two equivalent O atoms. Both O–O bond lengths are 1.75 Å. In the second O site, O is bonded in a 4-coordinate geometry to four equivalent Li and two equivalent O atoms.},

  doi          = {10.17188/1679773},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1679773

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiO2 by Materials Project

Dataset

LiO2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Li is bonded to six equivalent O atoms to form LiO6 octahedra that share corners with eight equivalent LiO6 octahedra, corners with six equivalent OLi3O tetrahedra, and edges with two equivalent LiO6 octahedra. The corner-sharing octahedral tilt angles are 69°. There are two shorter (2.10 Å) and four longer (2.13 Å) Li–O bond lengths. O is bonded to three equivalent Li and one O atom to form distorted OLi3O tetrahedra that share corners with three equivalent LiO6 octahedra, corners with thirteen equivalent OLi3O tetrahedra,more »« less
Materials Data on LiO2 by Materials Project

Dataset

LiO2 is Fluorite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a body-centered cubic geometry to eight equivalent O atoms. There are six shorter (2.00 Å) and two longer (2.01 Å) Li–O bond lengths. O is bonded to four equivalent Li atoms to form a mixture of corner and edge-sharing OLi4 tetrahedra.
Materials Data on LiO2 by Materials Project

Dataset

LiO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent O atoms. There are six shorter (2.13 Å) and two longer (2.23 Å) Li–O bond lengths. O is bonded in a 4-coordinate geometry to four equivalent Li atoms.
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.

Similar Records