Materials Data on Si(CN2)2 by Materials Project

doi:10.17188/1204579

Title: Materials Data on Si(CN2)2 by Materials Project

Dataset
Other Related Research

Abstract

SiC2N4 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Si–N bond lengths are 1.69 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.21 Å. N3- is bonded in a linear geometry to one Si4+ and one C4+ atom.

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-30160

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; C-N-Si; Si(CN2)2; crystal structure

OSTI Identifier:: 1204579

DOI:: https://doi.org/10.17188/1204579

Citation Formats


                    Materials Data on Si(CN2)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204579.

Copy to clipboard


                    Materials Data on Si(CN2)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204579

Copy to clipboard


                    2020.  
"Materials Data on Si(CN2)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204579.  https://www.osti.gov/servlets/purl/1204579. Pub date:Sat Jul 18 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1204579,

  title        = {Materials Data on Si(CN2)2 by Materials Project},

  
  abstractNote = {SiC2N4 crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Si–N bond lengths are 1.69 Å. C4+ is bonded in a linear geometry to two equivalent N3- atoms. Both C–N bond lengths are 1.21 Å. N3- is bonded in a linear geometry to one Si4+ and one C4+ atom.},

  doi          = {10.17188/1204579},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1204579

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on K5H(CN2)2 by Materials Project

Dataset

K5H(CN2)2 crystallizes in the tetragonal P4/ncc space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to four equivalent N3- and one H1+ atom. There are a spread of K–N bond distances ranging from 2.82–2.95 Å. The K–H bond length is 2.85 Å. In the second K1+ site, K1+ is bonded to four equivalent N3- and two equivalent H1+ atoms to form corner-sharing KH2N4 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–N bond lengths are 2.93 Å. There are one shorter (2.75 Å) andmore »« less
Materials Data on LiY(CN2)2 by Materials Project

Dataset

LiY(CN2)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six N3- atoms to form LiN6 octahedra that share edges with two equivalent LiN6 octahedra and edges with four equivalent YN6 octahedra. There are a spread of Li–N bond distances ranging from 2.29–2.59 Å. Y3+ is bonded to six N3- atoms to form YN6 octahedra that share edges with two equivalent YN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Y–N bond distances ranging from 2.33–2.40 Å. C4+ is bonded in a linear geometry to two N3- atoms. Theremore »« less
Materials Data on LiYb(CN2)2 by Materials Project

Dataset

LiYb(CN2)2 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Li1+ is bonded to six N3- atoms to form LiN6 octahedra that share edges with two equivalent LiN6 octahedra and edges with four equivalent YbN6 octahedra. There are a spread of Li–N bond distances ranging from 2.22–2.56 Å. Yb3+ is bonded to six N3- atoms to form YbN6 octahedra that share edges with two equivalent YbN6 octahedra and edges with four equivalent LiN6 octahedra. There are a spread of Yb–N bond distances ranging from 2.39–2.42 Å. C4+ is bonded in a linear geometry to two N3- atoms. Theremore »« less
Materials Data on LiH13(CN2)2 by Materials Project

Dataset

Li(NH3)4C2H is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P4/n space group. The structure is zero-dimensional and consists of two ethyne molecules and two Li(NH3)4 clusters. In each Li(NH3)4 cluster, Li1+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.07 Å. N3- is bonded to one Li1+ and three H1+ atoms to form distorted corner-sharing NLiH3 tetrahedra. There is one shorter (1.02 Å) and two longer (1.03 Å) N–H bond length. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to onemore »« less
Materials Data on CoH2(CN2)2 by Materials Project

Dataset

Co(HNCN)2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Co2+ is bonded to six N3- atoms to form edge-sharing CoN6 octahedra. There are two shorter (2.00 Å) and four longer (2.21 Å) Co–N bond lengths. C4+ is bonded in a linear geometry to two N3- atoms. There is one shorter (1.18 Å) and one longer (1.30 Å) C–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 4-coordinate geometry to two equivalent Co2+, one C4+, and one H1+ atom. The N–H bond length is 1.03 Å. In themore »« less

Similar Records