Materials Data on LaHoO3 by Materials Project

doi:10.17188/1299769

Title: Materials Data on LaHoO3 by Materials Project

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Abstract

LaHoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ho–O bond distances ranging from 2.23–2.28 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ho–O bond distances ranging from 2.25–2.27 Å. La3+ is bonded in a 3-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.30–3.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Ho2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three equivalent La3+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-770413

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; LaHoO3; Ho-La-O

OSTI Identifier:: 1299769

DOI:: https://doi.org/10.17188/1299769

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                    The Materials Project. Materials Data on LaHoO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1299769.

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                    The Materials Project. Materials Data on LaHoO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1299769

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                    The Materials Project. 2020.  
"Materials Data on LaHoO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1299769.  https://www.osti.gov/servlets/purl/1299769. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1299769,

  title        = {Materials Data on LaHoO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {LaHoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ho–O bond distances ranging from 2.23–2.28 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form corner-sharing HoO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ho–O bond distances ranging from 2.25–2.27 Å. La3+ is bonded in a 3-coordinate geometry to seven O2- atoms. There are a spread of La–O bond distances ranging from 2.30–3.06 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two Ho3+ and two equivalent La3+ atoms to form distorted corner-sharing OLa2Ho2 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Ho3+ and two equivalent La3+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and three equivalent La3+ atoms.},

  doi          = {10.17188/1299769},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1299769

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