Materials Data on LiAgF2 by Materials Project

doi:10.17188/1288963

Title: Materials Data on LiAgF2 by Materials Project

Dataset
Other Related Research

Abstract

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 AgF5 trigonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.33–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag1+ atom to form distorted FLi3Ag tetrahedra that share corners with six equivalent FLi3Ag tetrahedra, corners with five equivalent FLiAg4 trigonal bipyramids, and an edgeedge with one FLiAg4 trigonal bipyramid. In the second F1- site, F1- is bonded to one Li1+ and four equivalent Ag1+ atoms to form distorted FLiAg4 trigonal bipyramids that share corners with five equivalent FLi3Ag tetrahedra, corners with four equivalent FLiAg4 trigonalmore »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-753277

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:: 1288963

DOI:: https://doi.org/10.17188/1288963

Citation Formats


                    The Materials Project. Materials Data on LiAgF2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1288963.

Copy to clipboard


                    The Materials Project. Materials Data on LiAgF2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1288963

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on LiAgF2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1288963.  https://www.osti.gov/servlets/purl/1288963. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1288963,

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

  author       = {The Materials Project},

  abstractNote = {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 AgF5 trigonal bipyramids. There are a spread of Ag–F bond distances ranging from 2.33–2.62 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent Li1+ and one Ag1+ atom to form distorted FLi3Ag tetrahedra that share corners with six equivalent FLi3Ag tetrahedra, corners with five equivalent FLiAg4 trigonal bipyramids, and an edgeedge with one FLiAg4 trigonal bipyramid. In the second F1- site, F1- is bonded to one Li1+ and four equivalent Ag1+ atoms to form distorted FLiAg4 trigonal bipyramids that share corners with five equivalent FLi3Ag tetrahedra, corners with four equivalent FLiAg4 trigonal bipyramids, an edgeedge with one FLi3Ag tetrahedra, and edges with four equivalent FLiAg4 trigonal bipyramids.},

  doi          = {10.17188/1288963},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1288963

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 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
Materials Data on LiAgF2 by Materials Project

Dataset The Materials Project

LiAgF2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, 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 1.86–1.88 Å. In the second Li1+ site, 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 1.86–1.88 Å. There are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bondedmore »« less

Similar Records