Materials Data on NdCuTeO by Materials Project

doi:10.17188/1314448

Title: Materials Data on NdCuTeO by Materials Project

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Abstract

NdCuOTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Nd–Te bond lengths are 3.46 Å. All Nd–O bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent ONd4Te4 tetrahedra, edges with two equivalent ONd4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Nd3+, four equivalent Cu1+, and four equivalent O2- atoms. All Te–O bond lengths are 3.65 Å. O2- is bonded to four equivalent Nd3+ and four equivalent Te2- atoms to form distorted ONd4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent ONd4Te4 tetrahedra, and faces with four equivalent ONd4Te4 tetrahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-974307

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; NdCuTeO; Cu-Nd-O-Te

OSTI Identifier:: 1314448

DOI:: https://doi.org/10.17188/1314448

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                    The Materials Project. Materials Data on NdCuTeO by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314448.

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                    The Materials Project. Materials Data on NdCuTeO by Materials Project.  United States.  doi:https://doi.org/10.17188/1314448

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                    The Materials Project. 2020.  
"Materials Data on NdCuTeO by Materials Project".  United States.  doi:https://doi.org/10.17188/1314448.  https://www.osti.gov/servlets/purl/1314448. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1314448,

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

  author       = {The Materials Project},

  abstractNote = {NdCuOTe is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Nd3+ is bonded in a 4-coordinate geometry to four equivalent Te2- and four equivalent O2- atoms. All Nd–Te bond lengths are 3.46 Å. All Nd–O bond lengths are 2.37 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra, corners with twelve equivalent ONd4Te4 tetrahedra, edges with two equivalent ONd4Te4 tetrahedra, and edges with four equivalent CuTe4 tetrahedra. All Cu–Te bond lengths are 2.67 Å. Te2- is bonded in a 12-coordinate geometry to four equivalent Nd3+, four equivalent Cu1+, and four equivalent O2- atoms. All Te–O bond lengths are 3.65 Å. O2- is bonded to four equivalent Nd3+ and four equivalent Te2- atoms to form distorted ONd4Te4 tetrahedra that share corners with twelve equivalent CuTe4 tetrahedra, edges with two equivalent CuTe4 tetrahedra, edges with four equivalent ONd4Te4 tetrahedra, and faces with four equivalent ONd4Te4 tetrahedra.},

  doi          = {10.17188/1314448},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1314448

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