Materials Data on LiAgF2 by Materials Project

doi:10.17188/1288849

Title: Materials Data on LiAgF2 by Materials Project

Dataset
Other Related Research

Abstract

LiAgF2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form edge-sharing LiF6 octahedra. All Li–F bond lengths are 2.08 Å. Ag1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Ag–F bond lengths are 2.51 Å. F1- is bonded to three equivalent Li1+ and three equivalent Ag1+ atoms to form a mixture of distorted edge, face, and corner-sharing FLi3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-752927

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; LiAgF2; Ag-F-Li

OSTI Identifier:: 1288849

DOI:: https://doi.org/10.17188/1288849

Citation Formats


                    The Materials Project. Materials Data on LiAgF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288849.

Copy to clipboard


                    The Materials Project. Materials Data on LiAgF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288849

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LiAgF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288849.  https://www.osti.gov/servlets/purl/1288849. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1288849,

  title        = {Materials Data on LiAgF2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAgF2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form edge-sharing LiF6 octahedra. All Li–F bond lengths are 2.08 Å. Ag1+ is bonded in a 6-coordinate geometry to six equivalent F1- atoms. All Ag–F bond lengths are 2.51 Å. F1- is bonded to three equivalent Li1+ and three equivalent Ag1+ atoms to form a mixture of distorted edge, face, and corner-sharing FLi3Ag3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.},

  doi          = {10.17188/1288849},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1288849

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form edge-sharing LiF6 octahedra. There are two shorter (2.06 Å) and four longer (2.08 Å) Li–F bond lengths. Ag1+ is bonded in a linear geometry to two equivalent F1- atoms. Both Ag–F bond lengths are 2.16 Å. F1- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li1+ and one Ag1+ atom.
Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with six equivalent LiF4 tetrahedra, corners with five equivalent AgF5 trigonal bipyramids, and an edgeedge with one AgF5 trigonal bipyramid. There is one shorter (1.88 Å) and three longer (1.90 Å) Li–F bond length. Ag1+ is bonded to five F1- atoms to form distorted AgF5 trigonal bipyramids that share corners with five equivalent LiF4 tetrahedra, corners with four equivalent AgF5 trigonal bipyramids, an edgeedge with one LiF4 tetrahedra, and edges with four equivalent AgF5more »« less
Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form a mixture of edge and corner-sharing LiF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.83–1.95 Å. Ag1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 2.38–2.89 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 3-coordinate geometry to three equivalent Li1+ and three equivalent Ag1+ atoms. In the second F1- site, F1- is bonded inmore »« less
Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form distorted LiF6 octahedra that share corners with two equivalent AgF6 octahedra, corners with four equivalent LiF6 octahedra, edges with four equivalent LiF6 octahedra, and edges with eight equivalent AgF6 octahedra. The corner-sharing octahedra tilt angles range from 0–18°. There are two shorter (1.93 Å) and four longer (2.39 Å) Li–F bond lengths. Ag1+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with two equivalent LiF6 octahedra, corners with four equivalent AgF6 octahedra,more »« less
Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with four equivalent LiF4 tetrahedra and corners with eight equivalent AgF4 tetrahedra. There are a spread of Li–F bond distances ranging from 1.88–1.90 Å. Ag1+ is bonded to four F1- atoms to form AgF4 tetrahedra that share corners with four equivalent AgF4 tetrahedra and corners with eight equivalent LiF4 tetrahedra. There are a spread of Ag–F bond distances ranging from 2.33–2.43 Å. There are two inequivalent F1- sites. In the first F1- site, F1-more »« less

Similar Records