Materials Data on Nb2Co(PbO3)3 by Materials Project

doi:10.17188/1677929

Title: Materials Data on Nb2Co(PbO3)3 by Materials Project

Dataset
Other Related Research

Abstract

Nb2Co(PbO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra, corners with three equivalent CoO6 octahedra, and faces with eight PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (1.95 Å) and three longer (2.10 Å) Nb–O bond lengths. Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Co–O bond lengths are 2.08 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, faces with three equivalent CoO6 octahedra, and faces with five equivalent NbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.88–2.90 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces withmore »« less

Authors:: The Materials Project

Publication Date:: 2020-06-03

Other Number(s):: mp-1220846

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; Nb2Co(PbO3)3; Co-Nb-O-Pb

OSTI Identifier:: 1677929

DOI:: https://doi.org/10.17188/1677929

Citation Formats


                    The Materials Project. Materials Data on Nb2Co(PbO3)3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677929.

Copy to clipboard


                    The Materials Project. Materials Data on Nb2Co(PbO3)3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1677929

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Nb2Co(PbO3)3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1677929.  https://www.osti.gov/servlets/purl/1677929. Pub date:Wed Jun 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1677929,

  title        = {Materials Data on Nb2Co(PbO3)3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb2Co(PbO3)3 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with three equivalent NbO6 octahedra, corners with three equivalent CoO6 octahedra, and faces with eight PbO12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are three shorter (1.95 Å) and three longer (2.10 Å) Nb–O bond lengths. Co2+ is bonded to six equivalent O2- atoms to form CoO6 octahedra that share corners with six equivalent NbO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 3°. All Co–O bond lengths are 2.08 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, faces with three equivalent CoO6 octahedra, and faces with five equivalent NbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.88–2.90 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with two equivalent CoO6 octahedra, and faces with six equivalent NbO6 octahedra. All Pb–O bond lengths are 2.88 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to one Nb5+, one Co2+, and four Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two equivalent Nb5+ and four Pb2+ atoms.},

  doi          = {10.17188/1677929},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {6}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1677929

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Ag7(PbO3)3 by Materials Project

Dataset The Materials Project

Ag7(PbO3)3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are fifteen inequivalent Ag+1.14+ sites. In the first Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. In the second Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the third Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bondmore »« less
Materials Data on Ag7(PbO3)3 by Materials Project

Dataset The Materials Project

Ag7(PbO3)3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are six inequivalent Ag+1.14+ sites. In the first Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.14 Å. In the second Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–O bond lengths. In the third Ag+1.14+ site, Ag+1.14+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–Omore »« less
Materials Data on MgNb2(PbO3)3 by Materials Project

Dataset The Materials Project

Pb3MgNb2O9 crystallizes in the triclinic P1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four NbO6 octahedra. The corner-sharing octahedra tilt angles range from 1–12°. There are a spread of Mg–O bond distances ranging from 2.05–2.22 Å. There are two inequivalent Nb5+ sites. In the first Nb5+ site, Nb5+ is bonded to six O2- atoms to form NbO6 octahedra that share corners with two equivalent MgO6 octahedra and corners with four NbO6 octahedra. The corner-sharing octahedra tilt angles range frommore »« less
Materials Data on Tl2(PbO3)3 by Materials Project

Dataset The Materials Project

Tl2(PbO3)3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Tl3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Tl–O bond distances ranging from 2.16–2.50 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.21–2.57 Å. In the second Pb4+ site, Pb4+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.21 Å) and four longer (2.55 Å)more »« less
Materials Data on Nb2Zn(PbO3)3 by Materials Project

Dataset The Materials Project

Nb2Zn(PbO3)3 is Pb (Zr_0.50 Ti_0.48) O_3-derived structured and crystallizes in the triclinic P1 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 two equivalent ZnO6 octahedra and corners with four NbO6 octahedra. The corner-sharing octahedra tilt angles range from 6–17°. There are a spread of Nb–O bond distances ranging from 1.87–2.32 Å. In the second Nb5+ site, Nb5+ is bonded to six O2- atoms to form distorted NbO6 octahedra that share corners with two equivalent ZnO6more »« less

Similar Records