Materials Data on CrN2 by Materials Project

doi:10.17188/1318894

Title: Materials Data on CrN2 by Materials Project

Dataset
Other Related Research

Abstract

CrN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Cr–N bond distances ranging from 1.65–2.27 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a T-shaped geometry to three equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Cr6+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-23

Other Number(s):: mvc-13461

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; CrN2; Cr-N

OSTI Identifier:: 1318894

DOI:: https://doi.org/10.17188/1318894

Citation Formats


                    The Materials Project. Materials Data on CrN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1318894.

Copy to clipboard


                    The Materials Project. Materials Data on CrN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1318894

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CrN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1318894.  https://www.osti.gov/servlets/purl/1318894. Pub date:Thu Jul 23 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1318894,

  title        = {Materials Data on CrN2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CrN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cr6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Cr–N bond distances ranging from 1.65–2.27 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a T-shaped geometry to three equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three equivalent Cr6+ atoms.},

  doi          = {10.17188/1318894},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1318894

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CrN2 by Materials Project

Dataset The Materials Project

CrN2 is Keatite structured and crystallizes in the tetragonal P4_32_12 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.71–1.76 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150more »« less
Materials Data on CrN2 by Materials Project

Dataset The Materials Project

CrN2 crystallizes in the cubic Im-3m space group. The structure is three-dimensional. Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is one shorter (1.72 Å) and three longer (1.75 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the second N3- site, N3- is bonded in a bent 120 degrees geometry to two equivalent Cr6+ atoms. In the third N3- site, N3- is bonded in a bent 150 degrees geometry to two equivalent Cr6+more » atoms.« less
Materials Data on CrN2 by Materials Project

Dataset The Materials Project

CrN2 crystallizes in the monoclinic P2 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.65–1.83 Å. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.73–1.82 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 150 degrees geometry to two Cr6+ atoms.more »« less
Materials Data on CrN2 by Materials Project

Dataset The Materials Project

CrN2 crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.75 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.74 Å) and two longer (1.76 Å) Cr–N bond length. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a bent 120 degrees geometrymore »« less
Materials Data on CrN2 by Materials Project

Dataset The Materials Project

CrN2 is High (Orthorhombic) Tridymite-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are four inequivalent Cr6+ sites. In the first Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shorter (1.72 Å) and two longer (1.73 Å) Cr–N bond length. In the second Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. All Cr–N bond lengths are 1.72 Å. In the third Cr6+ site, Cr6+ is bonded to four N3- atoms to form corner-sharing CrN4 tetrahedra. There is two shortermore »« less

Similar Records