Materials Data on Tb2NiAs2 by Materials Project

doi:10.17188/1663797

Title: Materials Data on Tb2NiAs2 by Materials Project

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Abstract

Tb2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tb–Ni bond lengths are 3.05 Å. There are three shorter (2.91 Å) and three longer (3.05 Å) Tb–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Tb atoms to form edge-sharing AsTb6 octahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-1079205

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; Tb2NiAs2; As-Ni-Tb

OSTI Identifier:: 1663797

DOI:: https://doi.org/10.17188/1663797

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                    The Materials Project. Materials Data on Tb2NiAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1663797.

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                    The Materials Project. Materials Data on Tb2NiAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1663797

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                    The Materials Project. 2020.  
"Materials Data on Tb2NiAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1663797.  https://www.osti.gov/servlets/purl/1663797. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1663797,

  title        = {Materials Data on Tb2NiAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tb2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tb is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tb–Ni bond lengths are 3.05 Å. There are three shorter (2.91 Å) and three longer (3.05 Å) Tb–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded in a 3-coordinate geometry to six equivalent Tb and three equivalent Ni atoms. In the second As site, As is bonded to six equivalent Tb atoms to form edge-sharing AsTb6 octahedra.},

  doi          = {10.17188/1663797},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1663797

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