Materials Data on SiO2 by Materials Project

doi:10.17188/1281936

Title: Materials Data on SiO2 by Materials Project

Dataset
Other Related Research

Abstract

SiO2 is High (Orthorhombic) Tridymite structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.

Authors:: The Materials Project

Publication Date:: 2017-07-24

Other Number(s):: mp-7648

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; SiO2; O-Si

OSTI Identifier:: 1281936

DOI:: https://doi.org/10.17188/1281936

Citation Formats


                    The Materials Project. Materials Data on SiO2 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1281936.

Copy to clipboard


                    The Materials Project. Materials Data on SiO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1281936

Copy to clipboard


                    The Materials Project. 2017.  
"Materials Data on SiO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1281936.  https://www.osti.gov/servlets/purl/1281936. Pub date:Mon Jul 24 00:00:00 EDT 2017

Copy to clipboard


                    
@article{osti_1281936,

  title        = {Materials Data on SiO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SiO2 is High (Orthorhombic) Tridymite structured and crystallizes in the orthorhombic C222_1 space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. All Si–O bond lengths are 1.62 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Si4+ atoms.},

  doi          = {10.17188/1281936},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1281936

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SiO2 by Materials Project

Dataset The Materials Project

SiO2 is Hydrophilite-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–52°. There are a spread of Si–O bond distances ranging from 1.77–1.84 Å. In the second Si4+ site, Si4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedra tilt angles range from 49–51°. There are a spread of Si–Omore »« less
Materials Data on SiO2 by Materials Project

Dataset The Materials Project

SiO2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Si4+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There is four shorter (1.78 Å) and two longer (1.84 Å) Si–O bond length. O2- is bonded in a distorted trigonal planar geometry to three equivalent Si4+ atoms.
Materials Data on SiO2 by Materials Project

Dataset The Materials Project

SiO2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional and consists of two water molecules and one Si8O15 framework. In the Si8O15 framework, there are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.62 Å) and one longer (1.63 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.64 Å) and one longer (1.65 Å) Si–O bond length. In the third Si4+ site, Si4+more »« less
Materials Data on SiO2 by Materials Project

Dataset The Materials Project

SiO2 is quartz (alpha)-like structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is two shorter (1.62 Å) and two longer (1.63 Å) Si–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Si4+ atoms. In the third O2- site, O2- is bonded in a bent 150 degreesmore »« less
Materials Data on SiO2 by Materials Project

Dataset The Materials Project

SiO2 is Low Tridymite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There is three shorter (1.63 Å) and one longer (1.64 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form corner-sharing SiO4 tetrahedra. There are a spread of Si–O bond distances ranging from 1.62–1.64 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a bentmore »« less

Similar Records