Materials Data on Al2Ge(HO3)2 by Materials Project

doi:10.17188/1280293

Title: Materials Data on Al2Ge(HO3)2 by Materials Project

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Abstract

Al2Ge(HO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.96 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There is two shorter (1.79 Å) and two longer (1.80 Å) Ge–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Al3+ and one H1+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-18

Other Number(s):: mp-643346

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; Al2Ge(HO3)2; Al-Ge-H-O

OSTI Identifier:: 1280293

DOI:: https://doi.org/10.17188/1280293

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                    The Materials Project. Materials Data on Al2Ge(HO3)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1280293.

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                    The Materials Project. Materials Data on Al2Ge(HO3)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1280293

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                    The Materials Project. 2020.  
"Materials Data on Al2Ge(HO3)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1280293.  https://www.osti.gov/servlets/purl/1280293. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1280293,

  title        = {Materials Data on Al2Ge(HO3)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Al2Ge(HO3)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share corners with four equivalent GeO4 tetrahedra and edges with three equivalent AlO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–1.96 Å. Ge4+ is bonded to four O2- atoms to form GeO4 tetrahedra that share corners with eight equivalent AlO6 octahedra. The corner-sharing octahedra tilt angles range from 49–60°. There is two shorter (1.79 Å) and two longer (1.80 Å) Ge–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.97 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Al3+ and one Ge4+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Al3+ and one H1+ atom.},

  doi          = {10.17188/1280293},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1280293

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