Materials Data on Si by Materials Project

doi:10.17188/1685277

Title: Materials Data on Si by Materials Project

Dataset
Other Related Research

Abstract

Si crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to eleven Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.84 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to ten Si atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Si–Si bond lengths.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1079649

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; Si; Si

OSTI Identifier:: 1685277

DOI:: https://doi.org/10.17188/1685277

Citation Formats


                    The Materials Project. Materials Data on Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1685277.

Copy to clipboard


                    The Materials Project. Materials Data on Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1685277

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1685277.  https://www.osti.gov/servlets/purl/1685277. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1685277,

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

  author       = {The Materials Project},

  abstractNote = {Si crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent Si sites. In the first Si site, Si is bonded in a 11-coordinate geometry to eleven Si atoms. There are a spread of Si–Si bond distances ranging from 2.41–2.84 Å. In the second Si site, Si is bonded in a 10-coordinate geometry to ten Si atoms. There are two shorter (2.69 Å) and two longer (2.70 Å) Si–Si bond lengths.},

  doi          = {10.17188/1685277},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1685277

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Si by Materials Project

Dataset The Materials Project

Si is Hg_xSn structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Si is bonded to eight equivalent Si atoms to form a mixture of edge and corner-sharing SiSi8 hexagonal bipyramids. There are two shorter (2.48 Å) and six longer (2.65 Å) Si–Si bond lengths.
Materials Data on Si(Bi3O5)4 by Materials Project

Dataset The Materials Project

Bi12SiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.67 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Si4+ and three equivalent Bi3+ atoms. In themore »« less
Materials Data on Si(CN2)2 by Materials Project

Dataset The Materials Project

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.
Materials Data on Hg3(SI)2 by Materials Project

Dataset The Materials Project

Hg3S2I2 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. there are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Hg–S bond lengths are 2.48 Å. Both Hg–I bond lengths are 3.18 Å. In the second Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to two equivalent S2- and four I1- atoms. Both Hg–S bond lengths are 2.45 Å. There are a spread of Hg–I bond distances ranging from 3.19–3.78 Å. In the third Hg2+ site, Hg2+ is bondedmore »« less
Materials Data on Si by Materials Project

Dataset The Materials Project

Si is Copper structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Si is bonded to twelve equivalent Si atoms to form a mixture of face, edge, and corner-sharing SiSi12 cuboctahedra. All Si–Si bond lengths are 2.74 Å.

Similar Records