Materials Data on K(FeTe)2 by Materials Project

doi:10.17188/1718669

Title: Materials Data on K(FeTe)2 by Materials Project

Dataset
Other Related Research

Abstract

KFe2Te2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All K–Te bond lengths are 3.58 Å. Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Te atoms. All Fe–Fe bond lengths are 2.74 Å. All Fe–Te bond lengths are 2.64 Å. Te is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Fe atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1068789

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; K(FeTe)2; Fe-K-Te

OSTI Identifier:: 1718669

DOI:: https://doi.org/10.17188/1718669

Citation Formats


                    The Materials Project. Materials Data on K(FeTe)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1718669.

Copy to clipboard


                    The Materials Project. Materials Data on K(FeTe)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1718669

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on K(FeTe)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1718669.  https://www.osti.gov/servlets/purl/1718669. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1718669,

  title        = {Materials Data on K(FeTe)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KFe2Te2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All K–Te bond lengths are 3.58 Å. Fe is bonded in a 8-coordinate geometry to four equivalent Fe and four equivalent Te atoms. All Fe–Fe bond lengths are 2.74 Å. All Fe–Te bond lengths are 2.64 Å. Te is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Fe atoms.},

  doi          = {10.17188/1718669},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1718669

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Y5(FeTe)2 by Materials Project

Dataset The Materials Project

Y5(FeTe)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Y sites. In the first Y site, Y is bonded in a 7-coordinate geometry to three Fe and four equivalent Te atoms. There are one shorter (2.82 Å) and two longer (2.94 Å) Y–Fe bond lengths. There are two shorter (3.31 Å) and two longer (3.35 Å) Y–Te bond lengths. In the second Y site, Y is bonded in a 6-coordinate geometry to three Fe and three equivalent Te atoms. There are one shorter (2.91 Å) and two longer (2.93 Å) Y–Fe bond lengths.more »« less
Materials Data on FeTe(PO4)2 (SG:11) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on FeTe(PO4)2 by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on FeTe(PO4)2 by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations
Materials Data on Tl(FeTe)3 by Materials Project

Dataset The Materials Project

TlFe3Te3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a 10-coordinate geometry to six Fe and four Te atoms. There are two shorter (2.50 Å) and four longer (2.58 Å) Fe–Fe bond lengths. There are a spread of Fe–Te bond distances ranging from 2.66–2.68 Å. In the second Fe site, Fe is bonded in a 10-coordinate geometry to six Fe and four Te atoms. There are one shorter (2.50 Å) and two longer (2.58 Å) Fe–Fe bond lengths. There are a spreadmore »« less

Similar Records