Materials Data on MnAlB2(PbO4)2 by Materials Project

doi:10.17188/1752895

Title: Materials Data on MnAlB2(PbO4)2 by Materials Project

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Abstract

MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent AlO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.26 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with two equivalent MnO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–2.01 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn3+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded to one Mn3+, one Al3+, and two equivalent Pb2+ atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn3+, one B3+, and one Pb2+ atom. In the fourth O2- site, O2- ismore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1221830

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; MnAlB2(PbO4)2; Al-B-Mn-O-Pb

OSTI Identifier:: 1752895

DOI:: https://doi.org/10.17188/1752895

Citation Formats


                    The Materials Project. Materials Data on MnAlB2(PbO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1752895.

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                    The Materials Project. Materials Data on MnAlB2(PbO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1752895

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                    The Materials Project. 2020.  
"Materials Data on MnAlB2(PbO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1752895.  https://www.osti.gov/servlets/purl/1752895. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1752895,

  title        = {Materials Data on MnAlB2(PbO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent AlO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.26 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with two equivalent MnO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–2.01 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn3+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded to one Mn3+, one Al3+, and two equivalent Pb2+ atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn3+, one B3+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, one B3+, and one Pb2+ atom.},

  doi          = {10.17188/1752895},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1752895

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