Materials Data on V2Pb2Se2O11 by Materials Project

doi:10.17188/1749780

Title: Materials Data on V2Pb2Se2O11 by Materials Project

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Abstract

V2Pb2Se2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.34 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.42 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.49–2.64 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 2.38–2.90 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.79 Å. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å.more »« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1204734

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; V2Pb2Se2O11; O-Pb-Se-V

OSTI Identifier:: 1749780

DOI:: https://doi.org/10.17188/1749780

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                    The Materials Project. Materials Data on V2Pb2Se2O11 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749780.

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                    The Materials Project. Materials Data on V2Pb2Se2O11 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749780

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                    The Materials Project. 2020.  
"Materials Data on V2Pb2Se2O11 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749780.  https://www.osti.gov/servlets/purl/1749780. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1749780,

  title        = {Materials Data on V2Pb2Se2O11 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {V2Pb2Se2O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.34 Å. In the second V5+ site, V5+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.68–2.42 Å. There are two inequivalent Pb4+ sites. In the first Pb4+ site, Pb4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.49–2.64 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 2.38–2.90 Å. There are two inequivalent Se2+ sites. In the first Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.79 Å. In the second Se2+ site, Se2+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.71–1.77 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to three V5+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Pb4+ and one Se2+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two Pb4+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one V5+, one Pb4+, and one Se2+ atom. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+, one Pb4+, and one Se2+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two Pb4+ and one Se2+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one V5+ and one Se2+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one V5+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two V5+ and one Pb4+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb4+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb4+ atom.},

  doi          = {10.17188/1749780},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1749780

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