Materials Data on FeSb by Materials Project

doi:10.17188/1201120

Title: Materials Data on FeSb by Materials Project

Dataset
Other Related Research

Abstract

FeSb is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.64 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.

Publication Date:: 2020-07-15

Other Number(s):: mp-2619

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; Fe-Sb; FeSb; crystal structure

OSTI Identifier:: 1201120

DOI:: https://doi.org/10.17188/1201120

Citation Formats


                    Materials Data on FeSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1201120.

Copy to clipboard


                    Materials Data on FeSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1201120

Copy to clipboard


                    2020.  
"Materials Data on FeSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1201120.  https://www.osti.gov/servlets/purl/1201120. Pub date:Wed Jul 15 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1201120,

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

  
  abstractNote = {FeSb is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing FeSb6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Fe–Sb bond lengths are 2.64 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Fe3+ atoms.},

  doi          = {10.17188/1201120},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1201120

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on FeSbS by Materials Project

Dataset

FeSbS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Fe3+ is bonded to three equivalent Sb1- and three equivalent S2- atoms to form distorted FeSb3S3 octahedra that share corners with eight equivalent FeSb3S3 octahedra, corners with three equivalent SbFe3S tetrahedra, corners with three equivalent SFe3Sb tetrahedra, and edges with two equivalent FeSb3S3 octahedra. The corner-sharing octahedra tilt angles range from 49–63°. There are a spread of Fe–Sb bond distances ranging from 2.55–2.60 Å. There are a spread of Fe–S bond distances ranging from 2.21–2.26 Å. Sb1- is bonded to three equivalent Fe3+ and one S2- atom tomore »« less
Materials Data on Cs(FeSb)2 by Materials Project

Dataset

Cs(FeSb)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded to four equivalent Cs1+ and eight equivalent Sb3- atoms to form a mixture of distorted corner and face-sharing CsCs4Sb8 cuboctahedra. There are two shorter (3.68 Å) and two longer (3.70 Å) Cs–Cs bond lengths. All Cs–Sb bond lengths are 3.87 Å. Fe+2.50+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. All Fe–Sb bond lengths are 2.62 Å. Sb3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ and four equivalent Fe+2.50+ atoms.
Materials Data on FeSb(ClO)8 by Materials Project

Dataset

FeCl2(O)4SbCl6(O2)2 crystallizes in the tetragonal P4/mmm space group. The structure is zero-dimensional and consists of one dichloroiron;tetrahydrate molecule, four water molecules, and one SbCl6 cluster. In the SbCl6 cluster, Sb is bonded in an octahedral geometry to six Cl atoms. There are two shorter (2.36 Å) and four longer (2.44 Å) Sb–Cl bond lengths. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a single-bond geometry to one Sb atom. In the second Cl site, Cl is bonded in a single-bond geometry to one Sb atom.
Materials Data on Ti4(FeSb)5 by Materials Project

Dataset

Ti4(FeSb)5 is alpha-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Ti sites. In the first Ti site, Ti is bonded to three equivalent Fe and three equivalent Sb atoms to form distorted TiFe3Sb3 octahedra that share corners with six equivalent FeSb6 octahedra, edges with six equivalent TiFe3Sb3 octahedra, and a faceface with one FeSb6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ti–Fe bond lengths are 2.49 Å. All Ti–Sb bond lengths are 2.91 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to threemore »« less
Materials Data on FeSb(ClO)8 by Materials Project

Dataset

FeCl2(O)4Sb(OCl3)2O2 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one hydrogen peroxide molecule; one FeCl2(O)4 cluster; and one Sb(OCl3)2 ribbon oriented in the (1, 0, 0) direction. In the FeCl2(O)4 cluster, Fe is bonded in a 6-coordinate geometry to four O and two Cl atoms. There are a spread of Fe–O bond distances ranging from 1.83–2.14 Å. There are one shorter (2.28 Å) and one longer (2.29 Å) Fe–Cl bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Fe atom. Inmore »« less

Similar Records