Materials Data on Ca(NdTe2)2 by Materials Project

doi:10.17188/1207334

Title: Materials Data on Ca(NdTe2)2 by Materials Project

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Abstract

Ca(NdTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent NdTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent NdTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.46 Å) Ca–Te bond lengths. Nd3+ is bonded to eight equivalent Te2- atoms to form distorted NdTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent NdTe8 hexagonal bipyramids, edges with four equivalent NdTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent NdTe8 hexagonal bipyramids. There are a spread of Nd–Te bond distances ranging from 3.21–3.41 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Nd3+ atoms.

Publication Date:: 2020-05-02

Other Number(s):: mp-37263

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; Ca(NdTe2)2; Ca-Nd-Te; crystal structure

OSTI Identifier:: 1207334

DOI:: https://doi.org/10.17188/1207334

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                    Materials Data on Ca(NdTe2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1207334.

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                    Materials Data on Ca(NdTe2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1207334

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                    2020.  
"Materials Data on Ca(NdTe2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1207334.  https://www.osti.gov/servlets/purl/1207334. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1207334,

  title        = {Materials Data on Ca(NdTe2)2 by Materials Project},

  
  abstractNote = {Ca(NdTe2)2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ca2+ is bonded to eight equivalent Te2- atoms to form distorted CaTe8 hexagonal bipyramids that share corners with eight equivalent NdTe8 hexagonal bipyramids, edges with four equivalent CaTe8 hexagonal bipyramids, and faces with eight equivalent NdTe8 hexagonal bipyramids. There are four shorter (3.20 Å) and four longer (3.46 Å) Ca–Te bond lengths. Nd3+ is bonded to eight equivalent Te2- atoms to form distorted NdTe8 hexagonal bipyramids that share corners with four equivalent CaTe8 hexagonal bipyramids, corners with four equivalent NdTe8 hexagonal bipyramids, edges with four equivalent NdTe8 hexagonal bipyramids, faces with four equivalent CaTe8 hexagonal bipyramids, and faces with four equivalent NdTe8 hexagonal bipyramids. There are a spread of Nd–Te bond distances ranging from 3.21–3.41 Å. Te2- is bonded in a 6-coordinate geometry to two equivalent Ca2+ and four equivalent Nd3+ atoms.},

  doi          = {10.17188/1207334},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1207334

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