Materials Data on Tm2NiAs2 by Materials Project

doi:10.17188/1188086

Title: Materials Data on Tm2NiAs2 by Materials Project

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Abstract

Tm2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.99 Å. There are three shorter (2.87 Å) and three longer (2.99 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent As atoms. All Ni–As bond lengths are 2.35 Å. There are two inequivalent As sites. In the first As site, As is bonded to six equivalent Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-11581

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; Tm2NiAs2; As-Ni-Tm

OSTI Identifier:: 1188086

DOI:: https://doi.org/10.17188/1188086

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                    The Materials Project. Materials Data on Tm2NiAs2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188086.

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                    The Materials Project. Materials Data on Tm2NiAs2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1188086

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                    The Materials Project. 2020.  
"Materials Data on Tm2NiAs2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1188086.  https://www.osti.gov/servlets/purl/1188086. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1188086,

  title        = {Materials Data on Tm2NiAs2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Tm2NiAs2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.99 Å. There are three shorter (2.87 Å) and three longer (2.99 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent As atoms. All Ni–As bond lengths are 2.35 Å. There are two inequivalent As sites. In the first As site, As is bonded to six equivalent Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 3-coordinate geometry to six equivalent Tm and three equivalent Ni atoms.},

  doi          = {10.17188/1188086},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1188086

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