Materials Data on ReN2 by Materials Project

doi:10.17188/1753283

Title: Materials Data on ReN2 by Materials Project

Dataset
Other Related Research

Abstract

ReN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with four equivalent ReN7 pentagonal bipyramids, corners with three equivalent NRe3N tetrahedra, and edges with seven equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 2.07–2.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Re6+ atoms to form a mixture of edge and corner-sharing NRe4 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN7 pentagonal bipyramids, corners with twelve NRe4 tetrahedra, and edges with three NRe4 tetrahedra. The N–N bond length is 1.40 Å.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1077354

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; ReN2; N-Re

OSTI Identifier:: 1753283

DOI:: https://doi.org/10.17188/1753283

Citation Formats


                    The Materials Project. Materials Data on ReN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1753283.

Copy to clipboard


                    The Materials Project. Materials Data on ReN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1753283

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on ReN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1753283.  https://www.osti.gov/servlets/purl/1753283. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1753283,

  title        = {Materials Data on ReN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {ReN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Re6+ is bonded to seven N3- atoms to form distorted ReN7 pentagonal bipyramids that share corners with four equivalent ReN7 pentagonal bipyramids, corners with three equivalent NRe3N tetrahedra, and edges with seven equivalent ReN7 pentagonal bipyramids. There are a spread of Re–N bond distances ranging from 2.07–2.20 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent Re6+ atoms to form a mixture of edge and corner-sharing NRe4 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Re6+ and one N3- atom to form distorted NRe3N tetrahedra that share corners with three equivalent ReN7 pentagonal bipyramids, corners with twelve NRe4 tetrahedra, and edges with three NRe4 tetrahedra. The N–N bond length is 1.40 Å.},

  doi          = {10.17188/1753283},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1753283

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on ReN2(OF4)2 by Materials Project

Dataset The Materials Project

ReF8(NO)2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight nitroxyl molecules and four ReF8 clusters. In each ReF8 cluster, Re4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Re–F bond distances ranging from 1.93–1.99 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Re4+ atom. In the third F1- site, F1- ismore »« less
Materials Data on ReN2 by Materials Project

Dataset The Materials Project

ReN2 is Corundum-like structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form edge-sharing ReN6 octahedra. There are a spread of Re–N bond distances ranging from 2.09–2.13 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.37 Å.
Materials Data on ReN2 by Materials Project

Dataset The Materials Project

ReN2 is Brookite-like structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. Re6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing ReN6 octahedra. The corner-sharing octahedra tilt angles range from 31–57°. There are a spread of Re–N bond distances ranging from 1.86–2.29 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three equivalent Re6+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to three equivalent Re6+ atoms.
Materials Data on ReN2 by Materials Project

Dataset The Materials Project

ReN2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Re6+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Re–N bond lengths are 2.22 Å. N3- is bonded in a 5-coordinate geometry to four equivalent Re6+ and one N3- atom. The N–N bond length is 1.42 Å.
Materials Data on ReN2 by Materials Project

Dataset The Materials Project

ReN2 is Ilmenite-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re6+ is bonded to six equivalent N3- atoms to form distorted edge-sharing ReN6 pentagonal pyramids. All Re–N bond lengths are 2.12 Å. N3- is bonded in a rectangular see-saw-like geometry to three equivalent Re6+ and one N3- atom. The N–N bond length is 1.35 Å.

Similar Records