Materials Data on LaInNi2 by Materials Project

doi:10.17188/1196483

Title: Materials Data on LaInNi2 by Materials Project

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Abstract

LaNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.72–3.13 Å. There are four shorter (3.39 Å) and two longer (3.46 Å) La–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent In atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–In bond lengths are 2.66 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiLa4In2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.64 Å. Both Ni–In bond lengths are 2.78 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Ni atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-21207

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; LaInNi2; In-La-Ni

OSTI Identifier:: 1196483

DOI:: https://doi.org/10.17188/1196483

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                    The Materials Project. Materials Data on LaInNi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196483.

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                    The Materials Project. Materials Data on LaInNi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196483

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                    The Materials Project. 2020.  
"Materials Data on LaInNi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196483.  https://www.osti.gov/servlets/purl/1196483. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1196483,

  title        = {Materials Data on LaInNi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.72–3.13 Å. There are four shorter (3.39 Å) and two longer (3.46 Å) La–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent In atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–In bond lengths are 2.66 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiLa4In2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.64 Å. Both Ni–In bond lengths are 2.78 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Ni atoms.},

  doi          = {10.17188/1196483},

  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/10.17188/1196483

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