Materials Data on Tb(CuS)2 by Materials Project

doi:10.17188/1350345

Title: Materials Data on Tb(CuS)2 by Materials Project

Dataset
Other Related Research

Abstract

Tb(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent S atoms to form distorted face-sharing TbCu6S6 cuboctahedra. All Tb–Cu bond lengths are 3.10 Å. All Tb–S bond lengths are 2.86 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Tb and four equivalent S atoms. There are three shorter (2.31 Å) and one longer (2.55 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Tb and four equivalent Cu atoms.

Publication Date:: 2020-07-23

Other Number(s):: mp-1018637

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; Cu-S-Tb; Tb(CuS)2; crystal structure

OSTI Identifier:: 1350345

DOI:: https://doi.org/10.17188/1350345

Citation Formats


                    Materials Data on Tb(CuS)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1350345.

Copy to clipboard


                    Materials Data on Tb(CuS)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1350345

Copy to clipboard


                    2020.  
"Materials Data on Tb(CuS)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1350345.  https://www.osti.gov/servlets/purl/1350345. Pub date:Thu Jul 23 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1350345,

  title        = {Materials Data on Tb(CuS)2 by Materials Project},

  
  abstractNote = {Tb(CuS)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Cu and six equivalent S atoms to form distorted face-sharing TbCu6S6 cuboctahedra. All Tb–Cu bond lengths are 3.10 Å. All Tb–S bond lengths are 2.86 Å. Cu is bonded in a 4-coordinate geometry to three equivalent Tb and four equivalent S atoms. There are three shorter (2.31 Å) and one longer (2.55 Å) Cu–S bond lengths. S is bonded in a 7-coordinate geometry to three equivalent Tb and four equivalent Cu atoms.},

  doi          = {10.17188/1350345},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1350345

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Tb(CuS)3 by Materials Project

Dataset

TbCu3S3 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Tb3+ is bonded to six equivalent S2- atoms to form TbS6 octahedra that share corners with twelve equivalent CuS4 tetrahedra, edges with three equivalent TbS6 octahedra, and edges with six equivalent CuS4 tetrahedra. All Tb–S bond lengths are 2.75 Å. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent TbS6 octahedra, corners with six equivalent CuS4 tetrahedra, edges with two equivalent TbS6 octahedra, and edges with three equivalent CuS4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. Theremore »« less
Materials Data on Tb(TiGa2)2 by Materials Project

Dataset

Tb(TiGa2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a distorted square co-planar geometry to twelve Ga atoms. There are four shorter (2.90 Å) and eight longer (3.32 Å) Tb–Ga bond lengths. Ti is bonded in a 10-coordinate geometry to two equivalent Ti and eight Ga atoms. Both Ti–Ti bond lengths are 2.72 Å. All Ti–Ga bond lengths are 2.80 Å. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 11-coordinate geometry to three equivalent Tb, four equivalent Ti, and four Ga atoms. There are twomore »« less
Materials Data on Tb(AlGe)2 by Materials Project

Dataset

TbAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Tb is bonded to six equivalent Ge atoms to form distorted TbGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent TbGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Tb–Ge bond lengths are 3.01 Å. Al is bonded to four equivalent Ge atoms to form distorted AlGe4 tetrahedra that share corners with six equivalent TbGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent TbGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range frommore »« less
Materials Data on Tb(GePd)2 by Materials Project

Dataset

TbPd2Ge2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded in a 8-coordinate geometry to eight equivalent Pd and eight equivalent Ge atoms. All Tb–Pd bond lengths are 3.33 Å. All Tb–Ge bond lengths are 3.26 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Pd–Ge bond lengths are 2.52 Å. Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Pd, and one Ge atom. The Ge–Ge bond length is 2.44 Å.
Materials Data on Tb(FeSi)2 by Materials Project

Dataset

TbFe2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb3+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All Tb–Si bond lengths are 3.09 Å. Fe+2.50+ is bonded to four equivalent Si4- atoms to form a mixture of edge and corner-sharing FeSi4 tetrahedra. All Fe–Si bond lengths are 2.27 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Tb3+, four equivalent Fe+2.50+, and one Si4- atom. The Si–Si bond length is 2.58 Å.

Similar Records