Materials Data on YGa3Ni2 by Materials Project

doi:10.17188/1709969

Title: Materials Data on YGa3Ni2 by Materials Project

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Abstract

YNi2Ga3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to twelve Ni and six Ga atoms. There are eight shorter (3.30 Å) and four longer (3.31 Å) Y–Ni bond lengths. All Y–Ga bond lengths are 2.99 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six Ni and twelve Ga atoms. All Y–Ni bond lengths are 3.35 Å. There are a spread of Y–Ga bond distances ranging from 3.07–3.31 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to four Y, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.70 Å. There are four shorter (2.42 Å) and two longer (2.74 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Y, two Ni, and six Ga atoms. The Ni–Ni bond length is 2.70 Å. There are four shorter (2.42 Å) and two longer (2.75 Å) Ni–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga ismore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-11

Other Number(s):: mp-1188481

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; YGa3Ni2; Ga-Ni-Y

OSTI Identifier:: 1709969

DOI:: https://doi.org/10.17188/1709969

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                    The Materials Project. Materials Data on YGa3Ni2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1709969.

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                    The Materials Project. Materials Data on YGa3Ni2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1709969

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                    The Materials Project. 2019.  
"Materials Data on YGa3Ni2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1709969.  https://www.osti.gov/servlets/purl/1709969. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1709969,

  title        = {Materials Data on YGa3Ni2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YNi2Ga3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to twelve Ni and six Ga atoms. There are eight shorter (3.30 Å) and four longer (3.31 Å) Y–Ni bond lengths. All Y–Ga bond lengths are 2.99 Å. In the second Y site, Y is bonded in a 6-coordinate geometry to six Ni and twelve Ga atoms. All Y–Ni bond lengths are 3.35 Å. There are a spread of Y–Ga bond distances ranging from 3.07–3.31 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to four Y, two equivalent Ni, and six Ga atoms. Both Ni–Ni bond lengths are 2.70 Å. There are four shorter (2.42 Å) and two longer (2.74 Å) Ni–Ga bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Y, two Ni, and six Ga atoms. The Ni–Ni bond length is 2.70 Å. There are four shorter (2.42 Å) and two longer (2.75 Å) Ni–Ga bond lengths. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three Y, four equivalent Ni, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.57 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to three Y, four Ni, and two Ga atoms. There are one shorter (2.57 Å) and one longer (2.58 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded to four equivalent Y, four equivalent Ni, and four equivalent Ga atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra. In the fourth Ga site, Ga is bonded to four equivalent Y, four equivalent Ni, and four Ga atoms to form a mixture of corner and face-sharing GaY4Ga4Ni4 cuboctahedra.},

  doi          = {10.17188/1709969},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1709969

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