Materials Data on Re2PbO8 by Materials Project

doi:10.17188/1203672

Title: Materials Data on Re2PbO8 by Materials Project

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Abstract

Re2PbO8 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Re–O bond distances ranging from 1.73–1.77 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.45 Å) and three longer (2.74 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with six ReO4 tetrahedra. There are three shorter (2.51 Å) and three longer (2.60 Å) Pb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-29305

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; Re2PbO8; O-Pb-Re

OSTI Identifier:: 1203672

DOI:: https://doi.org/10.17188/1203672

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                    The Materials Project. Materials Data on Re2PbO8 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1203672.

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                    The Materials Project. Materials Data on Re2PbO8 by Materials Project.  United States.  doi:https://doi.org/10.17188/1203672

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                    The Materials Project. 2020.  
"Materials Data on Re2PbO8 by Materials Project".  United States.  doi:https://doi.org/10.17188/1203672.  https://www.osti.gov/servlets/purl/1203672. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1203672,

  title        = {Materials Data on Re2PbO8 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Re2PbO8 crystallizes in the trigonal P31m space group. The structure is three-dimensional. there are two inequivalent Re7+ sites. In the first Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 21°. There are a spread of Re–O bond distances ranging from 1.73–1.77 Å. In the second Re7+ site, Re7+ is bonded to four O2- atoms to form ReO4 tetrahedra that share corners with two equivalent PbO6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are a spread of Re–O bond distances ranging from 1.74–1.77 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.45 Å) and three longer (2.74 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded to six O2- atoms to form PbO6 octahedra that share corners with six ReO4 tetrahedra. There are three shorter (2.51 Å) and three longer (2.60 Å) Pb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re7+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Re7+ atom.},

  doi          = {10.17188/1203672},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1203672

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