Materials Data on Rb3HoO3 by Materials Project

doi:10.17188/1743437

Title: Materials Data on Rb3HoO3 by Materials Project

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Abstract

Rb3HoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–2.98 Å. In the third Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with two equivalent HoO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one HoO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Rb–O bond distances ranging from 2.84–2.97 Å. Ho3+ is bonded to four O2- atoms to form HoO4 tetrahedra that share corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one HoO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Ho–O bond distances ranging from 2.11–2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-1101428

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; Rb3HoO3; Ho-O-Rb

OSTI Identifier:: 1743437

DOI:: https://doi.org/10.17188/1743437

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                    The Materials Project. Materials Data on Rb3HoO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743437.

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                    The Materials Project. Materials Data on Rb3HoO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743437

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                    The Materials Project. 2020.  
"Materials Data on Rb3HoO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743437.  https://www.osti.gov/servlets/purl/1743437. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1743437,

  title        = {Materials Data on Rb3HoO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3HoO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Rb–O bond distances ranging from 2.71–3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Rb–O bond distances ranging from 2.84–2.98 Å. In the third Rb1+ site, Rb1+ is bonded to four O2- atoms to form distorted RbO4 trigonal pyramids that share corners with two equivalent HoO4 tetrahedra, corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one HoO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Rb–O bond distances ranging from 2.84–2.97 Å. Ho3+ is bonded to four O2- atoms to form HoO4 tetrahedra that share corners with two equivalent RbO4 trigonal pyramids, an edgeedge with one HoO4 tetrahedra, and an edgeedge with one RbO4 trigonal pyramid. There are a spread of Ho–O bond distances ranging from 2.11–2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Ho3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Rb1+ and two equivalent Ho3+ atoms. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four Rb1+ and one Ho3+ atom.},

  doi          = {10.17188/1743437},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1743437

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