Materials Data on Fe(SbS2)2 by Materials Project

doi:10.17188/1195959

Title: Materials Data on Fe(SbS2)2 by Materials Project

Dataset
Other Related Research

Abstract

FeSb2S4 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six S2- atoms to form edge-sharing FeS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.23–2.36 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.59–3.01 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.53–3.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe2+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Fe2+ and two equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Fe2+ and four Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Fe2+ and three equivalent Sb3+ atoms.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-20767

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; Fe(SbS2)2; Fe-S-Sb

OSTI Identifier:: 1195959

DOI:: https://doi.org/10.17188/1195959

Citation Formats


                    The Materials Project. Materials Data on Fe(SbS2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1195959.

Copy to clipboard


                    The Materials Project. Materials Data on Fe(SbS2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1195959

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Fe(SbS2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1195959.  https://www.osti.gov/servlets/purl/1195959. Pub date:Sat Jul 18 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1195959,

  title        = {Materials Data on Fe(SbS2)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeSb2S4 is Krennerite-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six S2- atoms to form edge-sharing FeS6 octahedra. There are a spread of Fe–S bond distances ranging from 2.23–2.36 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.59–3.01 Å. In the second Sb3+ site, Sb3+ is bonded in a 5-coordinate geometry to five S2- atoms. There are a spread of Sb–S bond distances ranging from 2.53–3.17 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe2+ and one Sb3+ atom. In the second S2- site, S2- is bonded in a 3-coordinate geometry to one Fe2+ and two equivalent Sb3+ atoms. In the third S2- site, S2- is bonded in a 5-coordinate geometry to one Fe2+ and four Sb3+ atoms. In the fourth S2- site, S2- is bonded in a 5-coordinate geometry to two equivalent Fe2+ and three equivalent Sb3+ atoms.},

  doi          = {10.17188/1195959},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1195959

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ba(SbS2)2 by Materials Project

Dataset The Materials Project

Ba(SbS2)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ba–S bond distances ranging from 3.19–3.44 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine S2- atoms. There are a spread of Ba–S bond distances ranging from 3.28–3.72 Å. There are four inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S2- atoms. There aremore »« less
Materials Data on Mn(SbS2)2 by Materials Project

Dataset The Materials Project

MnSb2S4 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnSb2S4 sheets oriented in the (0, 0, 1) direction. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with four equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with six equivalent SbS5 square pyramids. There are two shorter (2.56 Å) and four longer (2.61 Å) Mn–S bond lengths. Sb3+ is bonded to five S2- atoms to form distorted SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra,more »« less
Materials Data on Mn(SbS2)2 by Materials Project

Dataset The Materials Project

MnSb2S4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to six S2- atoms to form MnS6 octahedra that share corners with two equivalent SbS5 square pyramids, edges with two equivalent MnS6 octahedra, and edges with three equivalent SbS5 square pyramids. There are a spread of Mn–S bond distances ranging from 2.51–2.70 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to five S2- atoms to form SbS5 square pyramids that share corners with two equivalent MnS6 octahedra, edges with three equivalent MnS6 octahedra, and edges with four equivalentmore »« less
Materials Data on Cs(SbS2)2 by Materials Project

Dataset The Materials Project

Cs(SbS2)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Cs1+ is bonded in a 9-coordinate geometry to nine S+1.75- atoms. There are a spread of Cs–S bond distances ranging from 3.52–3.88 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.46–2.96 Å. In the second Sb3+ site, Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four S+1.75- atoms. There are a spread of Sb–S bond distances ranging from 2.44–2.85 Å.more »« less
Materials Data on Eu(SbS2)2 by Materials Project

Dataset The Materials Project

Eu(SbS2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Eu–S bond distances ranging from 2.95–3.41 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded to six S2- atoms to form SbS6 octahedra that share corners with three equivalent SbS7 pentagonal bipyramids, edges with four equivalent SbS6 octahedra, and edges with two equivalent SbS7 pentagonal bipyramids. There are a spread of Sb–S bond distances ranging from 2.55–3.13 Å. In the second Sb3+ site, Sb3+ is bondedmore »« less

Similar Records