Materials Data on TbCuAs2 by Materials Project

doi:10.17188/1287105

Title: Materials Data on TbCuAs2 by Materials Project

Dataset

Abstract

TbCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.95 Å) and four longer (3.07 Å) Tb–As bond lengths. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Tb4+ and four equivalent As3- atoms. All As–As bond lengths are 2.77 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Tb4+ and four equivalent Cu2+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-7194

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; TbCuAs2; As-Cu-Tb

OSTI Identifier:: 1287105

DOI:: https://doi.org/10.17188/1287105

Citation Formats


                    The Materials Project. Materials Data on TbCuAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287105.

Copy to clipboard


                    The Materials Project. Materials Data on TbCuAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287105

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on TbCuAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287105.  https://www.osti.gov/servlets/purl/1287105. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1287105,

  title        = {Materials Data on TbCuAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbCuAs2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Tb4+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.95 Å) and four longer (3.07 Å) Tb–As bond lengths. Cu2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CuAs4 tetrahedra. All Cu–As bond lengths are 2.52 Å. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Tb4+ and four equivalent As3- atoms. All As–As bond lengths are 2.77 Å. In the second As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent Tb4+ and four equivalent Cu2+ atoms.},

  doi          = {10.17188/1287105},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1287105

Save / Share:

Export Metadata

Save to My Library