Materials Data on LaOsN3 by Materials Project

doi:10.17188/1281988

Title: Materials Data on LaOsN3 by Materials Project

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Abstract

LaOsN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent OsN6 octahedra. All La–N bond lengths are 2.79 Å. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with six equivalent OsN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–N bond lengths are 1.98 Å. N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted face, edge, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.

Publication Date:: 2020-07-23

Other Number(s):: mp-989564

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-N-Os; LaOsN3; crystal structure

OSTI Identifier:: 1281988

DOI:: https://doi.org/10.17188/1281988

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                    Materials Data on LaOsN3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1281988.

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                    Materials Data on LaOsN3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281988

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                    2020.  
"Materials Data on LaOsN3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281988.  https://www.osti.gov/servlets/purl/1281988. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1281988,

  title        = {Materials Data on LaOsN3 by Materials Project},

  
  abstractNote = {LaOsN3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent OsN6 octahedra. All La–N bond lengths are 2.79 Å. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with six equivalent OsN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Os–N bond lengths are 1.98 Å. N3- is bonded to four equivalent La3+ and two equivalent Os6+ atoms to form a mixture of distorted face, edge, and corner-sharing NLa4Os2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},

  doi          = {10.17188/1281988},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1281988

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Materials Data on LaOsN3 by Materials Project

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LaOsN3 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. La3+ is bonded to twelve equivalent N3- atoms to form distorted LaN12 cuboctahedra that share corners with twelve equivalent LaN12 cuboctahedra, faces with six equivalent LaN12 cuboctahedra, and faces with eight equivalent OsN6 octahedra. There are a spread of La–N bond distances ranging from 2.55–3.04 Å. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with six equivalent OsN6 octahedra and faces with eight equivalent LaN12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Os–N bond lengths are 1.99 Å. N3-more »« less
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