Materials Data on NdIn2Ni9 by Materials Project

doi:10.17188/1672370

Title: Materials Data on NdIn2Ni9 by Materials Project

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Abstract

NdNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.03 Å) and eight longer (3.28 Å) Nd–Ni bond lengths. All Nd–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Nd, seven Ni, and three equivalent In atoms to form NiNd2In3Ni7 cuboctahedra that share corners with eighteen NiNd2In3Ni7 cuboctahedra, edges with nine NiNd2In2Ni8 cuboctahedra, and faces with twenty NiNd2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.53 Å. There are one shorter (2.63 Å) and two longer (2.80 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Nd, eight Ni, and two equivalent In atoms to form a mixture of distorted edge, corner, and face-sharing NiNd2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.66 Å. Both Ni–In bond lengths are 2.84 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiNd2In2Ni8 cuboctahedra, edges withmore »« less

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1190769

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; NdIn2Ni9; In-Nd-Ni

OSTI Identifier:: 1672370

DOI:: https://doi.org/10.17188/1672370

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                    The Materials Project. Materials Data on NdIn2Ni9 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1672370.

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                    The Materials Project. Materials Data on NdIn2Ni9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1672370

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                    The Materials Project. 2019.  
"Materials Data on NdIn2Ni9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1672370.  https://www.osti.gov/servlets/purl/1672370. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1672370,

  title        = {Materials Data on NdIn2Ni9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NdNi9In2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Nd is bonded in a 8-coordinate geometry to sixteen Ni and four equivalent In atoms. There are eight shorter (3.03 Å) and eight longer (3.28 Å) Nd–Ni bond lengths. All Nd–In bond lengths are 3.28 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded to two equivalent Nd, seven Ni, and three equivalent In atoms to form NiNd2In3Ni7 cuboctahedra that share corners with eighteen NiNd2In3Ni7 cuboctahedra, edges with nine NiNd2In2Ni8 cuboctahedra, and faces with twenty NiNd2In3Ni7 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.40–2.53 Å. There are one shorter (2.63 Å) and two longer (2.80 Å) Ni–In bond lengths. In the second Ni site, Ni is bonded to two equivalent Nd, eight Ni, and two equivalent In atoms to form a mixture of distorted edge, corner, and face-sharing NiNd2In2Ni8 cuboctahedra. There are a spread of Ni–Ni bond distances ranging from 2.47–2.66 Å. Both Ni–In bond lengths are 2.84 Å. In the third Ni site, Ni is bonded to eight Ni and four equivalent In atoms to form NiIn4Ni8 cuboctahedra that share corners with sixteen NiNd2In2Ni8 cuboctahedra, edges with two equivalent NiIn4Ni8 cuboctahedra, and faces with twenty NiNd2In3Ni7 cuboctahedra. All Ni–In bond lengths are 2.83 Å. In is bonded in a 12-coordinate geometry to two equivalent Nd, twelve Ni, and one In atom. The In–In bond length is 2.90 Å.},

  doi          = {10.17188/1672370},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1672370

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