Materials Data on Pb3(BrO)2 by Materials Project

doi:10.17188/1262413

Title: Materials Data on Pb3(BrO)2 by Materials Project

Dataset
Other Related Research

Abstract

Pb3O2Br2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and three Br1- atoms. There are two shorter (2.39 Å) and two longer (2.49 Å) Pb–O bond lengths. There are two shorter (3.53 Å) and one longer (3.67 Å) Pb–Br bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two equivalent O2- and four Br1- atoms. Both Pb–O bond lengths are 2.26 Å. There are a spread of Pb–Br bond distances ranging from 3.04–3.68 Å. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and five Br1- atoms. Both Pb–O bond lengths are 2.31 Å. There are a spread of Pb–Br bond distances ranging from 3.16–3.81 Å. O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 7-coordinate geometry to seven Pb2+more » atoms.« less

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-505284

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; Br-O-Pb; Pb3(BrO)2; crystal structure

OSTI Identifier:: 1262413

DOI:: https://doi.org/10.17188/1262413

Citation Formats


                    Materials Data on Pb3(BrO)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262413.

Copy to clipboard


                    Materials Data on Pb3(BrO)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1262413

Copy to clipboard


                    2020.  
"Materials Data on Pb3(BrO)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1262413.  https://www.osti.gov/servlets/purl/1262413. Pub date:Mon Jul 20 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1262413,

  title        = {Materials Data on Pb3(BrO)2 by Materials Project},

  
  abstractNote = {Pb3O2Br2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and three Br1- atoms. There are two shorter (2.39 Å) and two longer (2.49 Å) Pb–O bond lengths. There are two shorter (3.53 Å) and one longer (3.67 Å) Pb–Br bond lengths. In the second Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two equivalent O2- and four Br1- atoms. Both Pb–O bond lengths are 2.26 Å. There are a spread of Pb–Br bond distances ranging from 3.04–3.68 Å. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and five Br1- atoms. Both Pb–O bond lengths are 2.31 Å. There are a spread of Pb–Br bond distances ranging from 3.16–3.81 Å. O2- is bonded to four Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb4 tetrahedra. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to five Pb2+ atoms. In the second Br1- site, Br1- is bonded in a 7-coordinate geometry to seven Pb2+ atoms.},

  doi          = {10.17188/1262413},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1262413

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on Pb3(IO)2 by Materials Project

Dataset

Pb3I2O2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted L-shaped geometry to two equivalent O2- and four I1- atoms. Both Pb–O bond lengths are 2.32 Å. There are a spread of Pb–I bond distances ranging from 3.24–3.57 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- and three equivalent I1- atoms. There are two shorter (2.45 Å) and two longer (2.49 Å) Pb–O bond lengths. There are two shorter (3.68 Å) andmore »« less
Materials Data on Pb3(ClO)2 by Materials Project

Dataset

Pb3O2Cl2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to four equivalent O2- and three Cl1- atoms. There are two shorter (2.38 Å) and two longer (2.49 Å) Pb–O bond lengths. There are one shorter (3.43 Å) and two longer (3.44 Å) Pb–Cl bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- and four Cl1- atoms. Both Pb–O bond lengths are 2.25 Å. There are a spread of Pb–Cl bondmore »« less
Materials Data on Pb3(NO4)2 by Materials Project

Dataset

Pb3(NO4)2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pb3(NO4)2 sheets oriented in the (0, 0, 1) direction. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to two equivalent O2- atoms. Both Pb–O bond lengths are 2.32 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.41 Å) and two longer (2.42 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded in a 2-coordinate geometry to sevenmore »« less
Materials Data on Pb3(SO6)2 by Materials Project

Dataset

Pb3(SO6)2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are three inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.59–2.81 Å. In the second Pb4+ site, Pb4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.58–2.83 Å. In the third Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging frommore »« less
Materials Data on Pb3(IO6)2 by Materials Project

Dataset

Pb3(O6I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Pb sites. In the first Pb site, Pb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Pb–O bond distances ranging from 2.17–2.57 Å. In the second Pb site, Pb is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Pb–O bond distances ranging from 2.45–2.85 Å. In the third Pb site, Pb is bonded to six O atoms to form distorted PbO6 pentagonal pyramids that share corners with two equivalent IO6 octahedramore »« less

Similar Records