Materials Data on TbAl3Ni2 by Materials Project

doi:10.17188/1652054

Title: Materials Data on TbAl3Ni2 by Materials Project

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Abstract

TbNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Tb–Ni bond lengths are 3.13 Å. There are six shorter (3.20 Å) and six longer (3.31 Å) Tb–Al bond lengths. In the second Tb site, Tb is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Tb–Ni bond lengths are 2.85 Å. Ni is bonded in a 9-coordinate geometry to three Tb and six Al atoms. There are four shorter (2.49 Å) and two longer (2.51 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing AlTb4Ni4 cuboctahedra. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb and four equivalent Ni atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-15

Other Number(s):: mp-1208327

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; TbAl3Ni2; Al-Ni-Tb

OSTI Identifier:: 1652054

DOI:: https://doi.org/10.17188/1652054

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                    The Materials Project. Materials Data on TbAl3Ni2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652054.

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                    The Materials Project. Materials Data on TbAl3Ni2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652054

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                    The Materials Project. 2020.  
"Materials Data on TbAl3Ni2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652054.  https://www.osti.gov/servlets/purl/1652054. Pub date:Wed Jul 15 00:00:00 EDT 2020

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@article{osti_1652054,

  title        = {Materials Data on TbAl3Ni2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {TbNi2Al3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Ni and twelve Al atoms. All Tb–Ni bond lengths are 3.13 Å. There are six shorter (3.20 Å) and six longer (3.31 Å) Tb–Al bond lengths. In the second Tb site, Tb is bonded in a hexagonal planar geometry to six equivalent Ni atoms. All Tb–Ni bond lengths are 2.85 Å. Ni is bonded in a 9-coordinate geometry to three Tb and six Al atoms. There are four shorter (2.49 Å) and two longer (2.51 Å) Ni–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded to four equivalent Tb and four equivalent Ni atoms to form a mixture of distorted face, edge, and corner-sharing AlTb4Ni4 cuboctahedra. In the second Al site, Al is bonded in a 12-coordinate geometry to two equivalent Tb and four equivalent Ni atoms.},

  doi          = {10.17188/1652054},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1652054

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