Materials Data on HoHO2 by Materials Project

doi:10.17188/1278576

Title: Materials Data on HoHO2 by Materials Project

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Abstract

HoOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to three Ho3+ and one H1+ atom. In the fourth O2- site,more »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-626173

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; HoHO2; H-Ho-O

OSTI Identifier:: 1278576

DOI:: https://doi.org/10.17188/1278576

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                    The Materials Project. Materials Data on HoHO2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1278576.

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                    The Materials Project. Materials Data on HoHO2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1278576

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                    The Materials Project. 2020.  
"Materials Data on HoHO2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1278576.  https://www.osti.gov/servlets/purl/1278576. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1278576,

  title        = {Materials Data on HoHO2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoOOH crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. In the second Ho3+ site, Ho3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Ho–O bond distances ranging from 2.26–2.45 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the second O2- site, O2- is bonded to four Ho3+ atoms to form a mixture of edge and corner-sharing OHo4 tetrahedra. In the third O2- site, O2- is bonded in a single-bond geometry to three Ho3+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to three Ho3+ and one H1+ atom.},

  doi          = {10.17188/1278576},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1278576

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