Materials Data on LiAgF3 by Materials Project

doi:10.17188/1290938

Title: Materials Data on LiAgF3 by Materials Project

Dataset
Other Related Research

Abstract

LiAgF3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted bent 120 degrees geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.29–2.63 Å. Ag2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 1.96–2.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and two equivalent Ag2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu May 08 00:00:00 EDT 2014

Other Number(s):: mp-757915

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; LiAgF3; Ag-F-Li

OSTI Identifier:: 1290938

DOI:: https://doi.org/10.17188/1290938

Citation Formats


                    The Materials Project. Materials Data on LiAgF3 by Materials Project.  United States: N. p., 2014. 
        Web.  doi:10.17188/1290938.

Copy to clipboard


                    The Materials Project. Materials Data on LiAgF3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1290938

Copy to clipboard


                    The Materials Project. 2014.  
"Materials Data on LiAgF3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1290938.  https://www.osti.gov/servlets/purl/1290938. Pub date:Thu May 08 00:00:00 EDT 2014

Copy to clipboard


                    
@article{osti_1290938,

  title        = {Materials Data on LiAgF3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LiAgF3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Li1+ is bonded in a distorted bent 120 degrees geometry to three F1- atoms. There are a spread of Li–F bond distances ranging from 1.29–2.63 Å. Ag2+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of Ag–F bond distances ranging from 1.96–2.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to one Li1+ and two equivalent Ag2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and two equivalent Ag2+ atoms. In the third F1- site, F1- is bonded in a distorted single-bond geometry to one Li1+ and two equivalent Ag2+ atoms.},

  doi          = {10.17188/1290938},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 08 00:00:00 EDT 2014},

  month        = {Thu May 08 00:00:00 EDT 2014}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1290938

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiAgF3 by Materials Project

Dataset The Materials Project

LiAgF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with seven AgF6 octahedra and corners with two equivalent LiF4 tetrahedra. The corner-sharing octahedra tilt angles range from 54–69°. There are a spread of Li–F bond distances ranging from 1.89–1.98 Å. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded to six F1- atoms to form distorted AgF6 octahedra that share corners with eight equivalent LiF4 tetrahedra and edges with three equivalent AgF6 octahedra. There are a spread ofmore »« less
Materials Data on LiAgF3 by Materials Project

Dataset The Materials Project

LiAgF3 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 in a 4-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.94–2.56 Å. In the second Li1+ site, Li1+ is bonded in a 5-coordinate geometry to five F1- atoms. There are a spread of Li–F bond distances ranging from 1.94–2.55 Å. There are four inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to six F1- atoms. There aremore »« less
Materials Data on LiAgF3 by Materials Project

Dataset The Materials Project

LiAgF3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form a mixture of edge and corner-sharing LiF6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are four shorter (2.04 Å) and two longer (2.26 Å) Li–F bond lengths. There are two inequivalent Ag2+ sites. In the first Ag2+ site, Ag2+ is bonded in a distorted square co-planar geometry to four F1- atoms. All Ag–F bond lengths are 2.19 Å. In the second Ag2+ site, Ag2+ is bonded in a square co-planar geometry to four F1- atoms. Theremore »« less
Materials Data on LiAgF3 by Materials Project

Dataset The Materials Project

LiAgF3 is Calcite structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a 3-coordinate geometry to six equivalent F1- atoms. There are three shorter (1.95 Å) and three longer (2.48 Å) Li–F bond lengths. Ag2+ is bonded to six equivalent F1- atoms to form corner-sharing AgF6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are three shorter (2.23 Å) and three longer (2.24 Å) Ag–F bond lengths. F1- is bonded in a 4-coordinate geometry to two equivalent Li1+ and two equivalent Ag2+ atoms.
Materials Data on LiAgF3 by Materials Project

Dataset The Materials Project

LiAgF3 is Ilmenite-like structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six AgF6 octahedra, edges with three equivalent AgF6 octahedra, and faces with two LiF6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Li–F bond distances ranging from 1.98–2.12 Å. In the second Li1+ site, Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with six AgF6 octahedra,more »« less

Similar Records