Materials Data on La2InNi2 by Materials Project

doi:10.17188/1746491

Title: Materials Data on La2InNi2 by Materials Project

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Abstract

La2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.04 Å. There are two shorter (3.38 Å) and two longer (3.39 Å) La–In bond lengths. In the second La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.97–3.07 Å. All La–In bond lengths are 3.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La, two Ni, and one In atom. There are one shorter (2.47 Å) and one longer (2.54 Å) Ni–Ni bond lengths. The Ni–In bond length is 2.94 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.09 Å) Ni–In bond lengths. In is bonded in a distorted q6 geometry to eight La and threemore » Ni atoms.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1106017

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; La2InNi2; In-La-Ni

OSTI Identifier:: 1746491

DOI:: https://doi.org/10.17188/1746491

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                    The Materials Project. Materials Data on La2InNi2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746491.

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                    The Materials Project. Materials Data on La2InNi2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1746491

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                    The Materials Project. 2020.  
"Materials Data on La2InNi2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1746491.  https://www.osti.gov/servlets/purl/1746491. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746491,

  title        = {Materials Data on La2InNi2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La2Ni2In crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.93–3.04 Å. There are two shorter (3.38 Å) and two longer (3.39 Å) La–In bond lengths. In the second La site, La is bonded in a 10-coordinate geometry to six Ni and four equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.97–3.07 Å. All La–In bond lengths are 3.49 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to six La, two Ni, and one In atom. There are one shorter (2.47 Å) and one longer (2.54 Å) Ni–Ni bond lengths. The Ni–In bond length is 2.94 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six La, one Ni, and two equivalent In atoms. There are one shorter (3.04 Å) and one longer (3.09 Å) Ni–In bond lengths. In is bonded in a distorted q6 geometry to eight La and three Ni atoms.},

  doi          = {10.17188/1746491},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746491

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