Materials Data on La3(GaNi)2 by Materials Project

doi:10.17188/1196975

Title: Materials Data on La3(GaNi)2 by Materials Project

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Abstract

La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-21529

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; La3(GaNi)2; Ga-La-Ni

OSTI Identifier:: 1196975

DOI:: https://doi.org/10.17188/1196975

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                    The Materials Project. Materials Data on La3(GaNi)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196975.

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                    The Materials Project. Materials Data on La3(GaNi)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196975

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                    The Materials Project. 2020.  
"Materials Data on La3(GaNi)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196975.  https://www.osti.gov/servlets/purl/1196975. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1196975,

  title        = {Materials Data on La3(GaNi)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La3Ni2Ga2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 9-coordinate geometry to four equivalent Ni and five Ga atoms. All La–Ni bond lengths are 3.20 Å. There are a spread of La–Ga bond distances ranging from 3.07–3.30 Å. In the second La site, La is bonded in a 4-coordinate geometry to four equivalent Ni and five Ga atoms. There are a spread of La–Ni bond distances ranging from 2.82–3.35 Å. There are a spread of La–Ga bond distances ranging from 3.19–3.43 Å. Ni is bonded in a 10-coordinate geometry to six La, one Ni, and three Ga atoms. The Ni–Ni bond length is 2.70 Å. There are a spread of Ni–Ga bond distances ranging from 2.54–2.64 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to seven La and two equivalent Ni atoms. In the second Ga site, Ga is bonded to eight La and four equivalent Ni atoms to form a mixture of distorted corner, edge, and face-sharing GaLa8Ni4 cuboctahedra.},

  doi          = {10.17188/1196975},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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