Materials Data on ScTa(PbO3)2 by Materials Project

doi:10.17188/1267429

Title: Materials Data on ScTa(PbO3)2 by Materials Project

Dataset
Other Related Research

Abstract

ScTa(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent TaO6 octahedra. All Pb–O bond lengths are 2.90 Å. O2- is bonded in a linear geometry to one Sc3+, one Ta5+, and four equivalent Pb2+ atoms.

Publication Date:: 2020-07-16

Other Number(s):: mp-550579

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; O-Pb-Sc-Ta; ScTa(PbO3)2; crystal structure

OSTI Identifier:: 1267429

DOI:: https://doi.org/10.17188/1267429

Citation Formats


                    Materials Data on ScTa(PbO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1267429.

Copy to clipboard


                    Materials Data on ScTa(PbO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1267429

Copy to clipboard


                    2020.  
"Materials Data on ScTa(PbO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1267429.  https://www.osti.gov/servlets/purl/1267429. Pub date:Thu Jul 16 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1267429,

  title        = {Materials Data on ScTa(PbO3)2 by Materials Project},

  
  abstractNote = {ScTa(PbO3)2 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent TaO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.10 Å. Ta5+ is bonded to six equivalent O2- atoms to form TaO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–O bond lengths are 2.00 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent ScO6 octahedra, and faces with four equivalent TaO6 octahedra. All Pb–O bond lengths are 2.90 Å. O2- is bonded in a linear geometry to one Sc3+, one Ta5+, and four equivalent Pb2+ atoms.},

  doi          = {10.17188/1267429},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1267429

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on VBi(PbO3)2 by Materials Project

Dataset

Pb2BiVO6 crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are four inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent PbO5 square pyramids. There are a spread of V–O bond distances ranging from 1.73–1.78 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three PbO5 square pyramids. There are a spread of V–O bond distances ranging from 1.74–1.77 Å. In the third V5+ site, V5+ is bonded tomore »« less
Materials Data on TmSb(PbO3)2 by Materials Project

Dataset

TmSb(PbO3)2 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Tm3+ is bonded to six O2- atoms to form TmO6 octahedra that share corners with six equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 16–25°. There are a spread of Tm–O bond distances ranging from 2.22–2.24 Å. Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–3.03 Å. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six equivalent TmO6 octahedra. The corner-sharingmore »« less
Materials Data on UCd(PbO3)2 by Materials Project

Dataset

Pb2CdUO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to six O2- atoms to form UO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of U–O bond distances ranging from 2.08–2.13 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Cd–O bond distances ranging from 2.35–2.39 Å. Pb2+ is bonded in amore »« less
Materials Data on VBi(PbO3)2 by Materials Project

Dataset

Pb2BiVO6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.69–1.78 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.36 Å) and two longer (2.50 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.33–2.91 Å. Bi3+more »« less
Materials Data on VBi(PbO3)2 by Materials Project

Dataset

Pb2BiVO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent PbO5 square pyramids. There are a spread of V–O bond distances ranging from 1.72–1.77 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with three equivalent PbO5 square pyramids. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. There are four inequivalent Pb2+ sites. In themore »« less

Similar Records