Materials Data on K7(FeTe2)4 by Materials Project

doi:10.17188/1742387

Title: Materials Data on K7(FeTe2)4 by Materials Project

Dataset
Other Related Research

Abstract

K7(FeTe2)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.48–4.00 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.50–3.90 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–4.31 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of K–Te bond distances ranging from 3.62–3.82 Å. There are two inequivalent Fe+2.25+ sites. In the first Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are one shorter (2.60 Å) and three longer (2.63 Å) Fe–Te bond lengths. In the second Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.64 Å. There are four inequivalentmore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1195306

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; K7(FeTe2)4; Fe-K-Te

OSTI Identifier:: 1742387

DOI:: https://doi.org/10.17188/1742387

Citation Formats


                    The Materials Project. Materials Data on K7(FeTe2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1742387.

Copy to clipboard


                    The Materials Project. Materials Data on K7(FeTe2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1742387

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on K7(FeTe2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1742387.  https://www.osti.gov/servlets/purl/1742387. Pub date:Sat May 02 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1742387,

  title        = {Materials Data on K7(FeTe2)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K7(FeTe2)4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.48–4.00 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.50–3.90 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to six Te2- atoms. There are a spread of K–Te bond distances ranging from 3.53–4.31 Å. In the fourth K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of K–Te bond distances ranging from 3.62–3.82 Å. There are two inequivalent Fe+2.25+ sites. In the first Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are one shorter (2.60 Å) and three longer (2.63 Å) Fe–Te bond lengths. In the second Fe+2.25+ site, Fe+2.25+ is bonded to four Te2- atoms to form edge-sharing FeTe4 tetrahedra. There are a spread of Fe–Te bond distances ranging from 2.59–2.64 Å. There are four inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Fe+2.25+ atom. In the second Te2- site, Te2- is bonded in a 9-coordinate geometry to five K1+ and three Fe+2.25+ atoms. In the third Te2- site, Te2- is bonded in a 7-coordinate geometry to six K1+ and one Fe+2.25+ atom. In the fourth Te2- site, Te2- is bonded in a 8-coordinate geometry to five K1+ and three Fe+2.25+ atoms.},

  doi          = {10.17188/1742387},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1742387

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K7(FeTe2)4 by Materials Project

Dataset The Materials Project

K7(FeTe2)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are four shorter (3.59 Å) and four longer (3.82 Å) K–Te bond lengths. In the second K1+ site, K1+ is bonded to four equivalent Te2- atoms to form KTe4 tetrahedra that share corners with four equivalent FeTe4 tetrahedra and edges with two equivalent KTe4 tetrahedra. There are two shorter (3.50 Å) and two longer (3.56 Å) K–Te bond lengths. In the third K1+ site, K1+more »« less
Materials Data on Rb7(FeTe2)4 by Materials Project

Dataset The Materials Project

Rb7(FeTe2)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–3.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.33 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven Te2- atoms. There are a spread of Rb–Te bond distances ranging frommore »« less
Materials Data on K7(Mo9S11)4 by Materials Project

Dataset The Materials Project

K7(Mo9S11)4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are seven inequivalent K sites. In the first K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging from 3.02–3.45 Å. In the third K site, K is bonded in a 7-coordinate geometry to seven S atoms. There are a spread of K–S bond distances ranging frommore »« less
Materials Data on K7(Si2Te5)4 by Materials Project

Dataset The Materials Project

K7(Si2Te5)4 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are seven inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to six Te+1.95- atoms. There are a spread of K–Te bond distances ranging from 3.55–4.26 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Te+1.95- atoms. There are a spread of K–Te bond distances ranging from 3.55–4.14 Å. In the third K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te+1.95- atoms. There are a spread of K–Te bond distances ranging frommore »« less
Materials Data on FeTe2 by Materials Project

Dataset The Materials Project

FeTe2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Te+1.50- atoms to form a mixture of corner and edge-sharing FeTe6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are two shorter (2.56 Å) and four longer (2.57 Å) Fe–Te bond lengths. Te+1.50- is bonded in a 3-coordinate geometry to three equivalent Fe3+ atoms.

Similar Records