Materials Data on Ho2WO6 by Materials Project

doi:10.17188/1301393

Title: Materials Data on Ho2WO6 by Materials Project

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Abstract

Ho2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.78 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 2.22–2.44 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.60 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.87–2.15 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. There are twelve inequivalent O2- sites. Inmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-772638

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; Ho2WO6; Ho-O-W

OSTI Identifier:: 1301393

DOI:: https://doi.org/10.17188/1301393

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                    The Materials Project. Materials Data on Ho2WO6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1301393.

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                    The Materials Project. Materials Data on Ho2WO6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1301393

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                    The Materials Project. 2020.  
"Materials Data on Ho2WO6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1301393.  https://www.osti.gov/servlets/purl/1301393. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1301393,

  title        = {Materials Data on Ho2WO6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are four inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.24–2.78 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 2.22–2.44 Å. In the third Ho3+ site, Ho3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ho–O bond distances ranging from 2.23–2.74 Å. In the fourth Ho3+ site, Ho3+ is bonded in a 4-coordinate geometry to six O2- atoms. There are a spread of Ho–O bond distances ranging from 2.21–2.60 Å. There are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded in a distorted octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.87–2.15 Å. In the second W6+ site, W6+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of W–O bond distances ranging from 1.92–2.02 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ho3+ and one W6+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ho3+ and one W6+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two Ho3+ and one W6+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one W6+ atom. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to three Ho3+ and one W6+ atom. In the ninth O2- site, O2- is bonded in a distorted tetrahedral geometry to three Ho3+ and one W6+ atom. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ho3+ and one W6+ atom. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Ho3+ and one W6+ atom. In the twelfth O2- site, O2- is bonded in a 3-coordinate geometry to two Ho3+ and one W6+ atom.},

  doi          = {10.17188/1301393},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1301393

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