Materials Data on PbS2 by Materials Project

doi:10.17188/1715829

Title: Materials Data on PbS2 by Materials Project

Dataset
Other Related Research

Abstract

PbS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one PbS2 sheet oriented in the (0, 0, 1) direction. Pb4+ is bonded to six equivalent S2- atoms to form edge-sharing PbS6 octahedra. All Pb–S bond lengths are 2.72 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Pb4+ atoms.

Publication Date:: Sat May 02 04:00:00 UTC 2020

Other Number(s):: mp-1206683

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; Pb-S; PbS2; crystal structure

OSTI Identifier:: 1715829

DOI:: https://doi.org/10.17188/1715829

Citation Formats


                    Materials Data on PbS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1715829.

Copy to clipboard


                    Materials Data on PbS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1715829

Copy to clipboard


                    2020.  
"Materials Data on PbS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1715829.  https://www.osti.gov/servlets/purl/1715829. Pub date:Sat May 02 04:00:00 UTC 2020

Copy to clipboard


                    
@article{osti_1715829,

  title        = {Materials Data on PbS2 by Materials Project},

  
  abstractNote = {PbS2 is trigonal omega structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one PbS2 sheet oriented in the (0, 0, 1) direction. Pb4+ is bonded to six equivalent S2- atoms to form edge-sharing PbS6 octahedra. All Pb–S bond lengths are 2.72 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Pb4+ atoms.},

  doi          = {10.17188/1715829},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 04:00:00 UTC 2020},

  month        = {Sat May 02 04:00:00 UTC 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1715829

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on PbS2 by Materials Project

Dataset

PbS2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Pb4+ is bonded in a 8-coordinate geometry to eight equivalent S2- atoms. All Pb–S bond lengths are 3.12 Å. S2- is bonded in a 5-coordinate geometry to four equivalent Pb4+ and one S2- atom. The S–S bond length is 2.09 Å.
Materials Data on Si(PbS2)2 by Materials Project

Dataset

SiPb2S4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.84–3.38 Å. In the second Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven S2- atoms. There are a spread of Pb–S bond distances ranging from 2.80–3.51 Å. Si4+ is bonded in a tetrahedral geometry to four S2- atoms. There are a spread of Si–S bond distances ranging from 2.13–2.15 Å. There are fourmore »« less
Materials Data on Ge(PbS2)2 by Materials Project

Dataset

Pb2GeS4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. there are four inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Pb–S bond distances ranging from 2.87–3.59 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four S2- atoms. There are two shorter (2.84 Å) and two longer (2.94 Å) Pb–S bond lengths. In the third Pb2+ site, Pb2+ is bonded to six S2- atoms to form distorted PbS6 pentagonal pyramids that share corners with two equivalentmore »« less
Materials Data on Bi2(PbS2)3 by Materials Project

Dataset

Pb3Bi2S6 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six S2- atoms to form PbS6 octahedra that share a cornercorner with one PbS6 octahedra, corners with three BiS6 octahedra, corners with four equivalent PbS7 pentagonal bipyramids, edges with two equivalent PbS6 octahedra, edges with five equivalent BiS6 octahedra, and an edgeedge with one PbS7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 0–57°. There are a spread of Pb–S bond distances ranging from 2.86–3.10 Å. In the second Pb2+ site, Pb2+more »« less
Materials Data on Ge(PbS2)2 by Materials Project

Dataset

Pb2GeS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Pb–S bond distances ranging from 2.82–3.55 Å. In the second Pb2+ site, Pb2+ is bonded to seven S2- atoms to form distorted PbS7 pentagonal bipyramids that share corners with four equivalent PbS7 pentagonal bipyramids, a cornercorner with one GeS4 tetrahedra, an edgeedge with one PbS7 pentagonal bipyramid, and edges with three equivalent GeS4 tetrahedra. There are a spread of Pb–S bondmore »« less

Similar Records