Materials Data on La5Al2Ru3 by Materials Project

doi:10.17188/1683696

Title: Materials Data on La5Al2Ru3 by Materials Project

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Abstract

La5Ru3Al2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to four equivalent Ru and four equivalent Al atoms. There are two shorter (2.82 Å) and two longer (3.40 Å) La–Ru bond lengths. There are two shorter (3.30 Å) and two longer (3.39 Å) La–Al bond lengths. In the second La site, La is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing LaAlRu3 tetrahedra. All La–Ru bond lengths are 2.97 Å. The La–Al bond length is 3.24 Å. Ru is bonded in a 8-coordinate geometry to six La and two equivalent Al atoms. Both Ru–Al bond lengths are 2.65 Å. Al is bonded in a 3-coordinate geometry to seven La and three equivalent Ru atoms.

Authors:: The Materials Project

Publication Date:: Fri Jan 11 00:00:00 EST 2019

Other Number(s):: mp-1185199

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; La5Al2Ru3; Al-La-Ru

OSTI Identifier:: 1683696

DOI:: https://doi.org/10.17188/1683696

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                    The Materials Project. Materials Data on La5Al2Ru3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1683696.

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                    The Materials Project. Materials Data on La5Al2Ru3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1683696

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                    The Materials Project. 2019.  
"Materials Data on La5Al2Ru3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1683696.  https://www.osti.gov/servlets/purl/1683696. Pub date:Fri Jan 11 00:00:00 EST 2019

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@article{osti_1683696,

  title        = {Materials Data on La5Al2Ru3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {La5Ru3Al2 crystallizes in the cubic I2_13 space group. The structure is three-dimensional. there are two inequivalent La sites. In the first La site, La is bonded in a 2-coordinate geometry to four equivalent Ru and four equivalent Al atoms. There are two shorter (2.82 Å) and two longer (3.40 Å) La–Ru bond lengths. There are two shorter (3.30 Å) and two longer (3.39 Å) La–Al bond lengths. In the second La site, La is bonded to three equivalent Ru and one Al atom to form distorted corner-sharing LaAlRu3 tetrahedra. All La–Ru bond lengths are 2.97 Å. The La–Al bond length is 3.24 Å. Ru is bonded in a 8-coordinate geometry to six La and two equivalent Al atoms. Both Ru–Al bond lengths are 2.65 Å. Al is bonded in a 3-coordinate geometry to seven La and three equivalent Ru atoms.},

  doi          = {10.17188/1683696},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jan 11 00:00:00 EST 2019},

  month        = {Fri Jan 11 00:00:00 EST 2019}

}

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DOI: https://doi.org/10.17188/1683696

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