Materials Data on Sr(Si3N4)2 by Materials Project

doi:10.17188/1273783

Title: Materials Data on Sr(Si3N4)2 by Materials Project

Dataset
Other Related Research

Abstract

Sr(Si3N4)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten N+2.25- atoms. There are a spread of Sr–N bond distances ranging from 2.70–3.20 Å. There are two inequivalent Si+2.67+ sites. In the first Si+2.67+ site, Si+2.67+ is bonded to four N+2.25- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.78 Å. In the second Si+2.67+ site, Si+2.67+ is bonded in a trigonal non-coplanar geometry to three N+2.25- atoms. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. There are three inequivalent N+2.25- sites. In the first N+2.25- site, N+2.25- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Si+2.67+ atoms. In the second N+2.25- site, N+2.25- is bonded in a trigonal planar geometry to one Sr2+ and three Si+2.67+ atoms. In the third N+2.25- site, N+2.25- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and three Si+2.67+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-567278

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; Sr(Si3N4)2; N-Si-Sr

OSTI Identifier:: 1273783

DOI:: https://doi.org/10.17188/1273783

Citation Formats


                    The Materials Project. Materials Data on Sr(Si3N4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1273783.

Copy to clipboard


                    The Materials Project. Materials Data on Sr(Si3N4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1273783

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Sr(Si3N4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1273783.  https://www.osti.gov/servlets/purl/1273783. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1273783,

  title        = {Materials Data on Sr(Si3N4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Sr(Si3N4)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to ten N+2.25- atoms. There are a spread of Sr–N bond distances ranging from 2.70–3.20 Å. There are two inequivalent Si+2.67+ sites. In the first Si+2.67+ site, Si+2.67+ is bonded to four N+2.25- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.69–1.78 Å. In the second Si+2.67+ site, Si+2.67+ is bonded in a trigonal non-coplanar geometry to three N+2.25- atoms. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. There are three inequivalent N+2.25- sites. In the first N+2.25- site, N+2.25- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two equivalent Si+2.67+ atoms. In the second N+2.25- site, N+2.25- is bonded in a trigonal planar geometry to one Sr2+ and three Si+2.67+ atoms. In the third N+2.25- site, N+2.25- is bonded in a distorted trigonal non-coplanar geometry to one Sr2+ and three Si+2.67+ atoms.},

  doi          = {10.17188/1273783},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1273783

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ba(Si3N4)2 by Materials Project

Dataset The Materials Project

Ba(Si3N4)2 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Ba2+ is bonded in a 10-coordinate geometry to ten N+2.25- atoms. There are a spread of Ba–N bond distances ranging from 2.82–3.26 Å. There are two inequivalent Si+2.67+ sites. In the first Si+2.67+ site, Si+2.67+ is bonded to four N+2.25- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.68–1.78 Å. In the second Si+2.67+ site, Si+2.67+ is bonded in a trigonal non-coplanar geometry to three N+2.25- atoms. All Si–N bond lengths are 1.76 Å. There are three inequivalent N+2.25- sites.more »« less
Materials Data on Si3N4 by Materials Project

Dataset The Materials Project

Si3N4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Si4+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing SiN5 trigonal bipyramids. There are a spread of Si–N bond distances ranging from 1.75–1.99 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a see-saw-like geometry to four equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.
Materials Data on Si3N4 by Materials Project

Dataset The Materials Project

Si3N4 crystallizes in the trigonal P31c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.76 Å. In the second Si4+ site, Si4+ is bonded to four N3- atoms to form corner-sharing SiN4 tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.75 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. Inmore »« less
Materials Data on Si3N4 by Materials Project

Dataset The Materials Project

Si3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six equivalent N3- atoms to form SiN6 octahedra that share corners with six equivalent SiN4 tetrahedra and edges with six equivalent SiN6 octahedra. All Si–N bond lengths are 1.89 Å. In the second Si4+ site, Si4+ is bonded to four equivalent N3- atoms to form corner-sharing SiN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Si–N bond lengths are 1.79 Å. N3- is bonded in a distorted rectangularmore »« less
Materials Data on Si3N4 by Materials Project

Dataset The Materials Project

Si3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Si4+ is bonded to four equivalent N3- atoms to form corner-sharing SiN4 tetrahedra. All Si–N bond lengths are 1.76 Å. N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms.

Similar Records