Materials Data on La3Ru by Materials Project

doi:10.17188/1733074

Title: Materials Data on La3Ru by Materials Project

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Abstract

La3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a distorted water-like geometry to two equivalent Ru atoms. There are one shorter (2.95 Å) and one longer (2.99 Å) La–Ru bond lengths. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.74 Å) and one longer (2.98 Å) La–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six La atoms.

Publication Date:: 2019-01-10

Other Number(s):: mp-1189592

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; La-Ru; La3Ru; crystal structure

OSTI Identifier:: 1733074

DOI:: https://doi.org/10.17188/1733074

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                    Materials Data on La3Ru by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1733074.

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                    Materials Data on La3Ru by Materials Project.  United States.  doi:https://doi.org/10.17188/1733074

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                    2019.  
"Materials Data on La3Ru by Materials Project".  United States.  doi:https://doi.org/10.17188/1733074.  https://www.osti.gov/servlets/purl/1733074. Pub date:Thu Jan 10 23:00:00 EST 2019

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@article{osti_1733074,

  title        = {Materials Data on La3Ru by Materials Project},

  
  abstractNote = {La3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two La3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent La sites. In the first La site, La is bonded in a distorted water-like geometry to two equivalent Ru atoms. There are one shorter (2.95 Å) and one longer (2.99 Å) La–Ru bond lengths. In the second La site, La is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.74 Å) and one longer (2.98 Å) La–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six La atoms.},

  doi          = {10.17188/1733074},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1733074

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