Materials Data on YAl8Ni3 by Materials Project

doi:10.17188/1687634

Title: Materials Data on YAl8Ni3 by Materials Project

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Abstract

YNi3Al8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Y–Ni bond lengths are 2.90 Å. There are a spread of Y–Al bond distances ranging from 2.92–3.48 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ni and seven Al atoms. Both Ni–Ni bond lengths are 2.92 Å. There are a spread of Ni–Al bond distances ranging from 2.38–2.41 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.52 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Ni and eleven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.78–3.08 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y, four Ni, and three Al atoms. There are two shorter (2.80 Å) and one longer (2.89 Å) Al–Al bond lengths. In the secondmore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1216015

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; YAl8Ni3; Al-Ni-Y

OSTI Identifier:: 1687634

DOI:: https://doi.org/10.17188/1687634

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                    The Materials Project. Materials Data on YAl8Ni3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1687634.

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                    The Materials Project. Materials Data on YAl8Ni3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687634

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                    The Materials Project. 2019.  
"Materials Data on YAl8Ni3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687634.  https://www.osti.gov/servlets/purl/1687634. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1687634,

  title        = {Materials Data on YAl8Ni3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {YNi3Al8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Y is bonded in a 7-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Y–Ni bond lengths are 2.90 Å. There are a spread of Y–Al bond distances ranging from 2.92–3.48 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 7-coordinate geometry to two equivalent Ni and seven Al atoms. Both Ni–Ni bond lengths are 2.92 Å. There are a spread of Ni–Al bond distances ranging from 2.38–2.41 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Y and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.29–2.52 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to two equivalent Ni and eleven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.78–3.08 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to two equivalent Y, four Ni, and three Al atoms. There are two shorter (2.80 Å) and one longer (2.89 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 3-coordinate geometry to one Y, five Ni, and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.60–2.88 Å. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Y, two Ni, and four equivalent Al atoms. All Al–Al bond lengths are 2.71 Å. In the fourth Al site, Al is bonded in a 1-coordinate geometry to one Y, one Ni, and eight Al atoms. All Al–Al bond lengths are 2.84 Å. In the fifth Al site, Al is bonded in a 10-coordinate geometry to two equivalent Y, two equivalent Ni, and six Al atoms.},

  doi          = {10.17188/1687634},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1687634

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