Materials Data on FePH12(CBr)4 by Materials Project

doi:10.17188/1684417

Title: Materials Data on FePH12(CBr)4 by Materials Project

Dataset
Other Related Research

Abstract

FeBr4(CH3)4P is Silicon tetrafluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four phosphonium, tetramethyl- molecules and four tetrabromoiron molecules.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1190395

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; FePH12(CBr)4; Br-C-Fe-H-P

OSTI Identifier:: 1684417

DOI:: https://doi.org/10.17188/1684417

Citation Formats


                    The Materials Project. Materials Data on FePH12(CBr)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1684417.

Copy to clipboard


                    The Materials Project. Materials Data on FePH12(CBr)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1684417

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on FePH12(CBr)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1684417.  https://www.osti.gov/servlets/purl/1684417. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1684417,

  title        = {Materials Data on FePH12(CBr)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeBr4(CH3)4P is Silicon tetrafluoride-derived structured and crystallizes in the cubic F-43m space group. The structure is zero-dimensional and consists of four phosphonium, tetramethyl- molecules and four tetrabromoiron molecules.},

  doi          = {10.17188/1684417},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1684417

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on SiH8(CBr)4 by Materials Project

Dataset The Materials Project

SiH8(CBr)4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two tetrakis(bromomethyl)silane molecules. Si4+ is bonded in a tetrahedral geometry to four equivalent C2- atoms. All Si–C bond lengths are 1.89 Å. C2- is bonded to one Si4+, two H1+, and one Br1- atom to form distorted corner-sharing CSiH2Br tetrahedra. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. The C–Br bond length is 1.97 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry tomore »« less
Materials Data on P2H9(CBr)3 by Materials Project

Dataset The Materials Project

P(CH3)3PBr3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four phosphorus tribromide molecules and four trimethylphosphine molecules.
Materials Data on Ce6B2(CBr)3 by Materials Project

Dataset The Materials Project

Ce6B2(CBr)3 crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. there are three inequivalent Ce+3.17+ sites. In the first Ce+3.17+ site, Ce+3.17+ is bonded to three C+3.33- and three Br1- atoms to form a mixture of distorted corner and edge-sharing CeC3Br3 octahedra. The corner-sharing octahedral tilt angles are 0°. There are one shorter (2.35 Å) and two longer (2.54 Å) Ce–C bond lengths. There are two shorter (3.16 Å) and one longer (3.17 Å) Ce–Br bond lengths. In the second Ce+3.17+ site, Ce+3.17+ is bonded in a 9-coordinate geometry to four equivalent B3-, two equivalent C+3.33-, and threemore »« less
Materials Data on La3B(CBr)2 by Materials Project

Dataset The Materials Project

La3B(CBr)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent La+2.33+ sites. In the first La+2.33+ site, La+2.33+ is bonded to three C4- and three Br1- atoms to form a mixture of distorted edge and corner-sharing LaC3Br3 octahedra. The corner-sharing octahedra tilt angles range from 40–106°. There are one shorter (2.48 Å) and two longer (2.66 Å) La–C bond lengths. There are two shorter (3.12 Å) and one longer (3.39 Å) La–Br bond lengths. In the second La+2.33+ site, La+2.33+ is bonded to three C4- and three equivalent Br1- atoms to form a mixturemore »« less
Materials Data on Li3Co3(PO4)4 (SG:4) by Materials Project

Dataset The Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Similar Records