Materials Data on NaHoO2 by Materials Project

doi:10.17188/1289818

Title: Materials Data on NaHoO2 by Materials Project

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Abstract

NaHoO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with eight equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are four shorter (2.32 Å) and two longer (2.88 Å) Na–O bond lengths. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent HoO6 octahedra, edges with four equivalent HoO6 octahedra, and edges with eight equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.29 Å) and four longer (2.32 Å) Ho–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the second O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of distorted edge andmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-755141

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; NaHoO2; Ho-Na-O

OSTI Identifier:: 1289818

DOI:: https://doi.org/10.17188/1289818

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                    The Materials Project. Materials Data on NaHoO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1289818.

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                    The Materials Project. Materials Data on NaHoO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1289818

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                    The Materials Project. 2020.  
"Materials Data on NaHoO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1289818.  https://www.osti.gov/servlets/purl/1289818. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1289818,

  title        = {Materials Data on NaHoO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaHoO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded to six O2- atoms to form distorted NaO6 octahedra that share corners with two equivalent HoO6 octahedra, corners with four equivalent NaO6 octahedra, edges with four equivalent NaO6 octahedra, and edges with eight equivalent HoO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are four shorter (2.32 Å) and two longer (2.88 Å) Na–O bond lengths. Ho3+ is bonded to six O2- atoms to form HoO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent HoO6 octahedra, edges with four equivalent HoO6 octahedra, and edges with eight equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.29 Å) and four longer (2.32 Å) Ho–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the second O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. In the third O2- site, O2- is bonded to three equivalent Na1+ and three equivalent Ho3+ atoms to form a mixture of distorted edge and corner-sharing ONa3Ho3 octahedra. The corner-sharing octahedra tilt angles range from 0–15°. There are two shorter (2.32 Å) and one longer (2.88 Å) O–Na bond lengths.},

  doi          = {10.17188/1289818},

  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/10.17188/1289818

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