Materials Data on CuPb2(OF)2 by Materials Project

doi:10.17188/1712376

Title: Materials Data on CuPb2(OF)2 by Materials Project

Dataset
Other Related Research

Abstract

CuPb2(OF)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. Pb2+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pb–O bond lengths are 2.70 Å. All Pb–F bond lengths are 2.57 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra.

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1147757

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; CuPb2(OF)2; Cu-F-O-Pb

OSTI Identifier:: 1712376

DOI:: https://doi.org/10.17188/1712376

Citation Formats


                    The Materials Project. Materials Data on CuPb2(OF)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1712376.

Copy to clipboard


                    The Materials Project. Materials Data on CuPb2(OF)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1712376

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on CuPb2(OF)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1712376.  https://www.osti.gov/servlets/purl/1712376. Pub date:Mon May 04 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1712376,

  title        = {Materials Data on CuPb2(OF)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CuPb2(OF)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 2.02 Å. Pb2+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Pb–O bond lengths are 2.70 Å. All Pb–F bond lengths are 2.57 Å. O2- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Pb2+ atoms. F1- is bonded to four equivalent Pb2+ atoms to form a mixture of edge and corner-sharing FPb4 tetrahedra.},

  doi          = {10.17188/1712376},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1712376

Save / Share:

Export Metadata

Save to My Library

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

Materials Data on CuPb2(ClO)2 by Materials Project

Dataset The Materials Project

CuPb2(OCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded in a distorted square co-planar geometry to four equivalent O2- and two equivalent Cl1- atoms. All Cu–O bond lengths are 2.01 Å. Both Cu–Cl bond lengths are 2.94 Å. Pb2+ is bonded in a 9-coordinate geometry to four equivalent O2- and five equivalent Cl1- atoms. All Pb–O bond lengths are 2.66 Å. There are four shorter (3.08 Å) and one longer (3.46 Å) Pb–Cl bond lengths. O2- is bonded in a distorted linear geometry to two equivalent Cu2+ and four equivalent Pb2+ atoms. Cl1- ismore »« less
Materials Data on CuPb2(SCl)2 by Materials Project

Dataset The Materials Project

CuPb2(SCl)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent S2- and four equivalent Cl1- atoms to form corner-sharing CuS2Cl4 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Cu–S bond lengths are 2.73 Å. All Cu–Cl bond lengths are 2.25 Å. Pb2+ is bonded in a 9-coordinate geometry to five equivalent S2- and four equivalent Cl1- atoms. There are one shorter (2.72 Å) and four longer (3.18 Å) Pb–S bond lengths. All Pb–Cl bond lengths are 3.47 Å. S2- is bonded to one Cu2+ and five equivalent Pb2+ atoms to formmore »« less
Materials Data on CuPb2(OF)2 by Materials Project

Dataset The Materials Project

CuF2(PbO)2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two CuF2 sheets oriented in the (0, 0, 1) direction and two PbO sheets oriented in the (0, 0, 1) direction. In each CuF2 sheet, Cu2+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Cu–F bond lengths are 2.02 Å. F1- is bonded in a linear geometry to two equivalent Cu2+ atoms. In each PbO sheet, Pb2+ is bonded in a 8-coordinate geometry to four equivalent O2- atoms. All Pb–O bond lengths are 2.35 Å. O2- is bonded to fourmore »« less
Materials Data on CuPb2(ClO2)2 by Materials Project

Dataset The Materials Project

CuPb2(O2Cl)2 crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one CuPb2(O2Cl)2 sheet oriented in the (0, 0, 1) direction. Cu2+ is bonded in a 4-coordinate geometry to four equivalent O2- and one Cl1- atom. All Cu–O bond lengths are 1.84 Å. The Cu–Cl bond length is 2.67 Å. Pb4+ is bonded in a 4-coordinate geometry to four equivalent O2- and two equivalent Cl1- atoms. All Pb–O bond lengths are 2.27 Å. Both Pb–Cl bond lengths are 3.14 Å. O2- is bonded in a 3-coordinate geometry to one Cu2+ and two equivalent Pb4+ atoms. Theremore »« less
Materials Data on CuPb2(BrO)2 by Materials Project

Dataset The Materials Project

CuPb2(OBr)2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Cu2+ is bonded to five Br1- atoms to form a mixture of corner and edge-sharing CuBr5 square pyramids. There are a spread of Cu–Br bond distances ranging from 2.39–2.81 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to four equivalent O2- and one Br1- atom. All Pb–O bond lengths are 2.32 Å. The Pb–Br bond length is 3.40 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to four equivalent O2- and onemore »« less

Similar Records