Materials Data on LiFeSiO4 by Materials Project

doi:10.17188/1292808

Title: Materials Data on LiFeSiO4 by Materials Project

Dataset
Other Related Research

Abstract

LiFeSiO4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Fe–O bond lengths are 1.88 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted T-shaped geometry to one Li1+, one Fe3+, and one Si4+ atom.

Publication Date:: 2017-07-20

Other Number(s):: mp-762644

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; crystal structure; Fe-Li-O-Si; LiFeSiO4

OSTI Identifier:: 1292808

DOI:: https://doi.org/10.17188/1292808

Citation Formats


                    Materials Data on LiFeSiO4 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1292808.

Copy to clipboard


                    Materials Data on LiFeSiO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1292808

Copy to clipboard


                    2017.  
"Materials Data on LiFeSiO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1292808.  https://www.osti.gov/servlets/purl/1292808. Pub date:Thu Jul 20 20:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1292808,

  title        = {Materials Data on LiFeSiO4 by Materials Project},

  
  abstractNote = {LiFeSiO4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.07 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Fe–O bond lengths are 1.88 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a distorted T-shaped geometry to one Li1+, one Fe3+, and one Si4+ atom.},

  doi          = {10.17188/1292808},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1292808

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on LiFeSiO4 by Materials Project

Dataset

LiFeSiO4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form LiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Li–O bond distances ranging from 1.97–2.10 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra and corners with four equivalent SiO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.89–1.93 Å. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra thatmore »« less
Materials Data on LiFeSiO4 by Materials Project

Dataset

LiFeSiO4 crystallizes in the hexagonal P6_422 space group. The structure is three-dimensional. Li1+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. All Li–O bond lengths are 2.13 Å. Fe3+ is bonded to four equivalent O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. All Fe–O bond lengths are 1.87 Å. Si4+ is bonded to four equivalent O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. All Si–O bond lengths are 1.64 Å. O2- is bonded in a 3-coordinate geometry to one Li1+, one Fe3+, and one Si4+more » atom.« less
Materials Data on LiFeSiO4 by Materials Project

Dataset

LiFeSiO4 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three LiFeSiO4 sheets oriented in the (0, 0, 1) direction. Li1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Li–O bond lengths are 2.03 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.81 Å) and three longer (1.93 Å) Fe–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There ismore »« less
Materials Data on LiFeSiO4 by Materials Project

Dataset

LiFeSiO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li1+ is bonded to four O2- atoms to form distorted LiO4 tetrahedra that share corners with six equivalent FeO6 octahedra, corners with two equivalent SiO4 tetrahedra, and an edgeedge with one SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 70–73°. There are two shorter (1.95 Å) and two longer (2.09 Å) Li–O bond lengths. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent LiO4 tetrahedra, corners with six equivalent SiO4 tetrahedra, and edges with two equivalent FeO6 octahedra. Theremore »« less
Materials Data on LiFeSiO4 by Materials Project

Dataset

LiFeSiO4 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Li1+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of Li–O bond distances ranging from 1.95–1.98 Å. Fe3+ is bonded to four O2- atoms to form FeO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra. There is one shorter (1.84 Å) and three longer (1.91 Å) Fe–O bond length. Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with four equivalent FeO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.63–1.66 Å.more »« less

Similar Records