Materials Data on MgSiN2 by Materials Project

doi:10.17188/1349835

Title: Materials Data on MgSiN2 by Materials Project

Dataset
Other Related Research

Abstract

MgSiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with six equivalent SiN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mg–N bond lengths are 2.17 Å. Si4+ is bonded to six equivalent N3- atoms to form SiN6 octahedra that share corners with six equivalent MgN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Si–N bond lengths are 1.94 Å. N3- is bonded to three equivalent Mg2+ and three equivalent Si4+ atoms to form a mixture of corner and edge-sharing NMg3Si3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:: 2020-07-14

Other Number(s):: mp-1017514

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; Mg-N-Si; MgSiN2; crystal structure

OSTI Identifier:: 1349835

DOI:: https://doi.org/10.17188/1349835

Citation Formats


                    Materials Data on MgSiN2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1349835.

Copy to clipboard


                    Materials Data on MgSiN2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1349835

Copy to clipboard


                    2020.  
"Materials Data on MgSiN2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1349835.  https://www.osti.gov/servlets/purl/1349835. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1349835,

  title        = {Materials Data on MgSiN2 by Materials Project},

  
  abstractNote = {MgSiN2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with six equivalent SiN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Mg–N bond lengths are 2.17 Å. Si4+ is bonded to six equivalent N3- atoms to form SiN6 octahedra that share corners with six equivalent MgN6 octahedra, edges with six equivalent MgN6 octahedra, and edges with six equivalent SiN6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Si–N bond lengths are 1.94 Å. N3- is bonded to three equivalent Mg2+ and three equivalent Si4+ atoms to form a mixture of corner and edge-sharing NMg3Si3 octahedra. The corner-sharing octahedral tilt angles are 0°.},

  doi          = {10.17188/1349835},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1349835

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on MgSiN2 by Materials Project

Dataset

MgSiN2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.08–2.14 Å. Si4+ is bonded to four N3- atoms to form SiN4 tetrahedra that share corners with four equivalent SiN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.75–1.77 Å. There are two inequivalent N3- sites. In themore »« less
Materials Data on MgSiN2 by Materials Project

Dataset

MgSiN2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent N3- atoms to form MgN4 tetrahedra that share corners with four equivalent MgN4 tetrahedra and corners with eight equivalent SiN4 tetrahedra. All Mg–N bond lengths are 2.11 Å. Si4+ is bonded to four equivalent N3- atoms to form SiN4 tetrahedra that share corners with four equivalent SiN4 tetrahedra and corners with eight equivalent MgN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded to two equivalent Mg2+ and two equivalent Si4+ atoms to form corner-sharing NMg2Si2more » tetrahedra.« less
Materials Data on Be by Materials Project

Dataset

Be is beta Np structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Be is bonded in a 11-coordinate geometry to eleven equivalent Be atoms. There are a spread of Be–Be bond distances ranging from 2.14–2.28 Å.
Materials Data on As by Materials Project

Dataset

As is alpha Po structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. As is bonded to six equivalent As atoms to form a mixture of edge and corner-sharing AsAs6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–As bond lengths are 2.74 Å.
Materials Data on As by Materials Project

Dataset

As is alpha As structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As sheets oriented in the (0, 0, 1) direction. As is bonded in a 3-coordinate geometry to three equivalent As atoms. All As–As bond lengths are 2.56 Å.

Similar Records