Materials Data on K2TeS3 by Materials Project

doi:10.17188/1204170

Title: Materials Data on K2TeS3 by Materials Project

Full Record
Other Related Research

Abstract

K2TeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of K–S bond distances ranging from 3.21–3.66 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedra tilt angles range from 15–22°. There are a spread of K–S bond distances ranging from 3.20–3.35 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of Te–S bond distances ranging from 2.37–2.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three K1+ and one Te4+ atom. In the second S2- site, S2- is bonded to five K1+ and one Te4+ atom to form distorted SK5Te octahedra that share corners with four equivalent SK5Te octahedra, a cornercorner with one SK4Te trigonal bipyramid, edges with two equivalent SK5Te octahedra, and edges with five equivalent SK4Te trigonalmore »« less

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

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)

Contributing Org.:: MIT; UC Berkeley; Duke; U Louvain

OSTI Identifier:: 1204170

Report Number(s):: mp-29692

DOE Contract Number:: AC02-05CH11231; EDCBEE

Resource Type:: Data

Resource Relation:: Related Information: https://materialsproject.org/citing

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; crystal structure; K2TeS3; K-S-Te

Citation Formats


                    The Materials Project. Materials Data on K2TeS3 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1204170.

Copy to clipboard


                    The Materials Project. Materials Data on K2TeS3 by Materials Project.  United States.  https://doi.org/10.17188/1204170

Copy to clipboard


                    The Materials Project. 2017.  
        "Materials Data on K2TeS3 by Materials Project".  United States.  https://doi.org/10.17188/1204170.  https://www.osti.gov/servlets/purl/1204170.

Copy to clipboard


                    
@article{osti_1204170,

  title        = {Materials Data on K2TeS3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {K2TeS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedra tilt angles range from 15–23°. There are a spread of K–S bond distances ranging from 3.21–3.66 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form a mixture of edge and corner-sharing KS6 octahedra. The corner-sharing octahedra tilt angles range from 15–22°. There are a spread of K–S bond distances ranging from 3.20–3.35 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three S2- atoms. There are a spread of Te–S bond distances ranging from 2.37–2.39 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a rectangular see-saw-like geometry to three K1+ and one Te4+ atom. In the second S2- site, S2- is bonded to five K1+ and one Te4+ atom to form distorted SK5Te octahedra that share corners with four equivalent SK5Te octahedra, a cornercorner with one SK4Te trigonal bipyramid, edges with two equivalent SK5Te octahedra, and edges with five equivalent SK4Te trigonal bipyramids. The corner-sharing octahedra tilt angles range from 5–16°. In the third S2- site, S2- is bonded to four K1+ and one Te4+ atom to form distorted SK4Te trigonal bipyramids that share a cornercorner with one SK5Te octahedra, corners with four equivalent SK4Te trigonal bipyramids, and edges with five equivalent SK5Te octahedra. The corner-sharing octahedral tilt angles are 19°.},

  doi          = {10.17188/1204170},

  url          = {https://www.osti.gov/biblio/1204170},
  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

Copy to clipboard

Dataset:

View Dataset

https://doi.org/10.17188/1204170

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Materials Data on K4Mn(AsS4)2 by Materials Project

Dataset

K4Mn(AsS4)2 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 octahedra that share corners with four equivalent MnS6 octahedra, corners with two equivalent AsS4 tetrahedra, edges with two equivalent KS6 octahedra, and edges with two equivalent AsS4 tetrahedra. The corner-sharing octahedra tilt angles range from 5–16°. There are a spread of K–S bond distances ranging from 3.28–3.66 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There aremore »« less
https://doi.org/10.17188/1271749

View Dataset
Materials Data on K10Zn4Sn4S17 by Materials Project

Dataset

K10Zn4Sn4S17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight S2- atoms. There are a spread of K–S bond distances ranging from 3.56–3.60 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances ranging from 3.26–3.79 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of K–S bond distances rangingmore »« less
https://doi.org/10.17188/1746692

View Dataset
Materials Data on K2HgS2 by Materials Project

Dataset

K2HgS2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five S2- atoms to form distorted KS5 trigonal bipyramids that share corners with six equivalent KS6 octahedra, corners with four equivalent KS5 trigonal bipyramids, edges with four equivalent KS5 trigonal bipyramids, and faces with two equivalent KS6 octahedra. The corner-sharing octahedra tilt angles range from 34–48°. There are a spread of K–S bond distances ranging from 3.09–3.77 Å. In the second K1+ site, K1+ is bonded to six S2- atoms to form KS6more »« less
https://doi.org/10.17188/1202939

View Dataset
Materials Data on K9Co2S7 by Materials Project

Dataset

K9Co2S7 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to five S2- atoms to form distorted KS5 square pyramids that share a cornercorner with one KS6 octahedra, corners with nine KS5 square pyramids, edges with four equivalent KS5 square pyramids, and a faceface with one KS6 octahedra. The corner-sharing octahedral tilt angles are 44°. There are a spread of K–S bond distances ranging from 3.02–3.40 Å. In the second K1+ site, K1+ is bonded in a 3-coordinate geometry to three equivalent S2- atoms.more »« less
https://doi.org/10.17188/1197260

View Dataset
Materials Data on K2Sb4S7O by Materials Project

Dataset

K2Sb4S7O crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 2-coordinate geometry to seven S2- and two equivalent O2- atoms. There are a spread of K–S bond distances ranging from 3.23–3.71 Å. There are one shorter (2.79 Å) and one longer (2.80 Å) K–O bond lengths. In the second K1+ site, K1+ is bonded to six S2- atoms to form distorted KS6 octahedra that share corners with two equivalent SbS5 square pyramids, an edgeedge with one KS6 octahedra, and edges with twomore »« less
https://doi.org/10.17188/1733869

View Dataset

Similar Records