Materials Data on HoAl3(PbO4)2 by Materials Project

doi:10.17188/1312810

Title: Materials Data on HoAl3(PbO4)2 by Materials Project

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Abstract

HoAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Ho3+ is bonded to eight O2- atoms to form HoO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.26 Å) and six longer (2.55 Å) Ho–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form distorted AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent HoO8 hexagonal bipyramids. All Al–O bond lengths are 1.75 Å. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (3.13 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OHoPb3 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+, two equivalent Al3+, and one Pb2+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-8888

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; HoAl3(PbO4)2; Al-Ho-O-Pb

OSTI Identifier:: 1312810

DOI:: https://doi.org/10.17188/1312810

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                    The Materials Project. Materials Data on HoAl3(PbO4)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1312810.

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                    The Materials Project. Materials Data on HoAl3(PbO4)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1312810

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                    The Materials Project. 2020.  
"Materials Data on HoAl3(PbO4)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1312810.  https://www.osti.gov/servlets/purl/1312810. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1312810,

  title        = {Materials Data on HoAl3(PbO4)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoAl3(PbO4)2 is Esseneite-like structured and crystallizes in the cubic Pn-3m space group. The structure is three-dimensional. Ho3+ is bonded to eight O2- atoms to form HoO8 hexagonal bipyramids that share edges with six equivalent AlO4 tetrahedra. There are two shorter (2.26 Å) and six longer (2.55 Å) Ho–O bond lengths. Al3+ is bonded to four equivalent O2- atoms to form distorted AlO4 tetrahedra that share corners with four equivalent AlO4 tetrahedra and edges with two equivalent HoO8 hexagonal bipyramids. All Al–O bond lengths are 1.75 Å. Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.37 Å) and three longer (3.13 Å) Pb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Ho3+ and three equivalent Pb2+ atoms to form a mixture of distorted corner and edge-sharing OHoPb3 tetrahedra. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Ho3+, two equivalent Al3+, and one Pb2+ atom.},

  doi          = {10.17188/1312810},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1312810

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