Materials Data on HoIO9 by Materials Project

doi:10.17188/1749182

Title: Materials Data on HoIO9 by Materials Project

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Abstract

HoO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HoO9I sheet oriented in the (1, 0, 0) direction. Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.45 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ho and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ho atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the sixth O site,more »« less

Authors:: The Materials Project

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

Other Number(s):: mp-1198708

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; HoIO9; Ho-I-O

OSTI Identifier:: 1749182

DOI:: https://doi.org/10.17188/1749182

Citation Formats


                    The Materials Project. Materials Data on HoIO9 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1749182.

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                    The Materials Project. Materials Data on HoIO9 by Materials Project.  United States.  doi:https://doi.org/10.17188/1749182

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                    The Materials Project. 2020.  
"Materials Data on HoIO9 by Materials Project".  United States.  doi:https://doi.org/10.17188/1749182.  https://www.osti.gov/servlets/purl/1749182. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1749182,

  title        = {Materials Data on HoIO9 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HoO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HoO9I sheet oriented in the (1, 0, 0) direction. Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.45 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ho and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ho atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the sixth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. I is bonded in an octahedral geometry to six O atoms.},

  doi          = {10.17188/1749182},

  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/10.17188/1749182

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