Materials Data on Si(PH2)4 by Materials Project

doi:10.17188/1204005

Title: Materials Data on Si(PH2)4 by Materials Project

Dataset
Other Related Research

Abstract

Si(PH2)4 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 214424-22-3 molecules. Si4- is bonded in a tetrahedral geometry to four P1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Si–P bond lengths. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the second P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the third P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the fourth P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. Inmore »« less

Publication Date:: 2020-05-01

Other Number(s):: mp-29549

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; H-P-Si; Si(PH2)4; crystal structure

OSTI Identifier:: 1204005

DOI:: https://doi.org/10.17188/1204005

Citation Formats


                    Materials Data on Si(PH2)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1204005.

Copy to clipboard


                    Materials Data on Si(PH2)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1204005

Copy to clipboard


                    2020.  
"Materials Data on Si(PH2)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1204005.  https://www.osti.gov/servlets/purl/1204005. Pub date:Fri May 01 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1204005,

  title        = {Materials Data on Si(PH2)4 by Materials Project},

  
  abstractNote = {Si(PH2)4 is BCT5-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 214424-22-3 molecules. Si4- is bonded in a tetrahedral geometry to four P1- atoms. There are one shorter (2.27 Å) and three longer (2.28 Å) Si–P bond lengths. There are four inequivalent P1- sites. In the first P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the second P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the third P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. In the fourth P1- site, P1- is bonded in a distorted T-shaped geometry to one Si4- and two H1+ atoms. Both P–H bond lengths are 1.43 Å. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one P1- atom.},

  doi          = {10.17188/1204005},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1204005

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Si(Bi3O5)4 by Materials Project

Dataset

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(H3C)4 by Materials Project

Dataset

Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three equivalent H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths aremore »« less
Materials Data on Ag9(SI)4 by Materials Project

Dataset

Ag9(SI)4 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are nine inequivalent Ag+1.33+ sites. In the first Ag+1.33+ site, Ag+1.33+ is bonded in a 6-coordinate geometry to three equivalent S2- and three equivalent I1- atoms. All Ag–S bond lengths are 2.64 Å. There are one shorter (3.06 Å) and two longer (3.39 Å) Ag–I bond lengths. In the second Ag+1.33+ site, Ag+1.33+ is bonded to six I1- atoms to form a mixture of corner and edge-sharing AgI6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of Ag–I bond distances ranging from 2.95–3.15more »« less
Materials Data on Cs3Re3(SI)4 by Materials Project

Dataset

Cs3Re3(SI)4 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded in a distorted q6 geometry to four equivalent S2- and six I1- atoms. All Cs–S bond lengths are 3.72 Å. There are two shorter (4.05 Å) and four longer (4.10 Å) Cs–I bond lengths. Re3+ is bonded to four equivalent S2- and one I1- atom to form edge-sharing ReS4I square pyramids. All Re–S bond lengths are 2.43 Å. The Re–I bond length is 2.83 Å. S2- is bonded in a 6-coordinate geometry to three equivalent Cs1+ and three equivalent Re3+ atoms. There are two inequivalentmore »« less
Materials Data on Si(AgO)4 by Materials Project

Dataset

Si(AgO)4 crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. Ag1+ is bonded in a distorted T-shaped geometry to three equivalent O2- atoms. There are a spread of Ag–O bond distances ranging from 2.15–2.65 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one Si4+ atom.

Similar Records