Materials Data on Nb2(VSi)3 by Materials Project

doi:10.17188/1651741

Title: Materials Data on Nb2(VSi)3 by Materials Project

Dataset
Other Related Research

Abstract

Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.

Publication Date:: 2019-01-12

Other Number(s):: mp-1220775

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; Nb-Si-V; Nb2(VSi)3; crystal structure

OSTI Identifier:: 1651741

DOI:: https://doi.org/10.17188/1651741

Citation Formats


                    Materials Data on Nb2(VSi)3 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1651741.

Copy to clipboard


                    Materials Data on Nb2(VSi)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1651741

Copy to clipboard


                    2019.  
"Materials Data on Nb2(VSi)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1651741.  https://www.osti.gov/servlets/purl/1651741. Pub date:Sat Jan 12 04:00:00 UTC 2019

Copy to clipboard


                    
@article{osti_1651741,

  title        = {Materials Data on Nb2(VSi)3 by Materials Project},

  
  abstractNote = {Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.},

  doi          = {10.17188/1651741},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1651741

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Nb2(PO4)3 by Materials Project

Dataset

Nb2P3O12 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 2.00–2.03 Å. In the second Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 2.01–2.04 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+more »« less
Materials Data on Nb2(PO4)3 by Materials Project

Dataset

Nb2P3O12 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 2.00–2.04 Å. In the second Nb+4.50+ site, Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six PO4 tetrahedra. There are a spread of Nb–O bond distances ranging from 2.00–2.03 Å. There are three inequivalent P5+ sites. In the first P5+ site, P5+more »« less
Materials Data on Nb2(CoO3)3 by Materials Project

Dataset

Nb2(CoO3)3 crystallizes in the trigonal P3c1 space group. The structure is three-dimensional. there are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with nine CoO6 octahedra. The corner-sharing octahedra tilt angles range from 31–53°. There are three shorter (1.89 Å) and three longer (2.20 Å) Nb–O bond lengths. In the second Nb5+ site, Nb5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (1.98 Å) and three longer (2.06 Å) Nb–O bond lengths. There are three inequivalent Co+2.67+ sites.more »« less
Materials Data on Nb2(PO4)3 by Materials Project

Dataset

Nb2P3O12 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with six equivalent PO4 tetrahedra. There are three shorter (2.01 Å) and three longer (2.03 Å) Nb–O bond lengths. P5+ is bonded to four O2- atoms to form PO4 tetrahedra that share corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 24–26°. All P–O bond lengths are 1.54 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry tomore »« less
Materials Data on Nb2(Co7B2)3 by Materials Project

Dataset

Nb2(Co7B2)3 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nb is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Nb–Co bond lengths are 2.43 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.51 Å. In the second Co site, Co is bonded to one Nb and three equivalent B atoms to form a mixture of distorted edge and corner-sharing CoNbB3 tetrahedra. All Co–B bond lengths are 2.08 Å. In the third Comore »« less

Similar Records