Materials Data on Ho2Ge2O5 by Materials Project

doi:10.17188/1314151

Title: Materials Data on Ho2Ge2O5 by Materials Project

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Abstract

Ho2Ge2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ho–O bond lengths are 2.56 Å. In the second Ho3+ site, Ho3+ is bonded to twelve O2- atoms to form HoO12 cuboctahedra that share corners with four equivalent HoO12 cuboctahedra, faces with four equivalent HoO12 cuboctahedra, and faces with eight equivalent GeO5 square pyramids. There are eight shorter (2.72 Å) and four longer (2.90 Å) Ho–O bond lengths. Ge2+ is bonded to five O2- atoms to form GeO5 square pyramids that share corners with five equivalent GeO5 square pyramids and faces with four equivalent HoO12 cuboctahedra. There is one shorter (1.90 Å) and four longer (2.05 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ and two equivalent Ge2+ atoms to form a mixture of distorted face, edge, and corner-sharing OHo4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. In the second O2- site, O2- is bonded in a linear geometry to four equivalent Ho3+ and two equivalent Ge2+ atoms.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-973592

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; Ho2Ge2O5; Ge-Ho-O

OSTI Identifier:: 1314151

DOI:: https://doi.org/10.17188/1314151

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                    The Materials Project. Materials Data on Ho2Ge2O5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314151.

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                    The Materials Project. Materials Data on Ho2Ge2O5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314151

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                    The Materials Project. 2020.  
"Materials Data on Ho2Ge2O5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314151.  https://www.osti.gov/servlets/purl/1314151. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1314151,

  title        = {Materials Data on Ho2Ge2O5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ho2Ge2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ho–O bond lengths are 2.56 Å. In the second Ho3+ site, Ho3+ is bonded to twelve O2- atoms to form HoO12 cuboctahedra that share corners with four equivalent HoO12 cuboctahedra, faces with four equivalent HoO12 cuboctahedra, and faces with eight equivalent GeO5 square pyramids. There are eight shorter (2.72 Å) and four longer (2.90 Å) Ho–O bond lengths. Ge2+ is bonded to five O2- atoms to form GeO5 square pyramids that share corners with five equivalent GeO5 square pyramids and faces with four equivalent HoO12 cuboctahedra. There is one shorter (1.90 Å) and four longer (2.05 Å) Ge–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four Ho3+ and two equivalent Ge2+ atoms to form a mixture of distorted face, edge, and corner-sharing OHo4Ge2 octahedra. The corner-sharing octahedra tilt angles range from 0–69°. In the second O2- site, O2- is bonded in a linear geometry to four equivalent Ho3+ and two equivalent Ge2+ atoms.},

  doi          = {10.17188/1314151},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314151

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