Materials Data on OsN2 by Materials Project

doi:10.17188/1325130

Title: Materials Data on OsN2 by Materials Project

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Abstract

OsN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.11 Å. N3- is bonded to four equivalent Os6+ atoms to form a mixture of edge and corner-sharing NOs4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-1008826

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; OsN2; N-Os

OSTI Identifier:: 1325130

DOI:: https://doi.org/10.17188/1325130

Citation Formats


                    The Materials Project. Materials Data on OsN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1325130.

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                    The Materials Project. Materials Data on OsN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1325130

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                    The Materials Project. 2020.  
"Materials Data on OsN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1325130.  https://www.osti.gov/servlets/purl/1325130. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1325130,

  title        = {Materials Data on OsN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {OsN2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.11 Å. N3- is bonded to four equivalent Os6+ atoms to form a mixture of edge and corner-sharing NOs4 tetrahedra.},

  doi          = {10.17188/1325130},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1325130

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Materials Data on OsN2 by Materials Project

Dataset The Materials Project

OsN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Os6+ is bonded to six equivalent N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six equivalent NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There are two shorter (2.07 Å) and four longer (2.11 Å) Os–N bond lengths. N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners with thirteen equivalent NOs3N tetrahedra,more »« less
Materials Data on OsN2 by Materials Project

Dataset The Materials Project

OsN2 crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one OsN2 ribbon oriented in the (0, 0, 1) direction. Os6+ is bonded in a linear geometry to two equivalent N3- atoms. Both Os–N bond lengths are 1.90 Å. N3- is bonded in a linear geometry to one Os6+ and one N3- atom. The N–N bond length is 1.16 Å.
Materials Data on OsN2 by Materials Project

Dataset The Materials Project

OsN2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os6+ is bonded to six N3- atoms to form OsN6 octahedra that share corners with eight equivalent OsN6 octahedra, corners with six NOs3N tetrahedra, and edges with two equivalent OsN6 octahedra. The corner-sharing octahedra tilt angles range from 63–69°. There are a spread of Os–N bond distances ranging from 2.06–2.17 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Os6+ and one N3- atom to form distorted NOs3N tetrahedra that share corners with three equivalent OsN6 octahedra, corners withmore »« less
Materials Data on OsN2 by Materials Project

Dataset The Materials Project

OsN2 is Corundum-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Os6+ is bonded in a 6-coordinate geometry to six equivalent N3- atoms. All Os–N bond lengths are 2.13 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Os6+ and one N3- atom. The N–N bond length is 1.31 Å.
Materials Data on OsN2 by Materials Project

Dataset The Materials Project

OsN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Os6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Os–N bond lengths are 2.23 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Os6+ and one N3- atom. The N–N bond length is 1.41 Å.

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