Materials Data on Gd3As5O12 by Materials Project

doi:10.17188/1298320

Title: Materials Data on Gd3As5O12 by Materials Project

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Abstract

Gd3As5O12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.64 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (2.20 Å) As–O bond length. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (1.86 Å) As–O bond length. In the third As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.79–2.22 Å. In the fourth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All As–O bond lengths are 1.86 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalentmore »« less

Authors:: The Materials Project

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

Other Number(s):: mp-768273

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; Gd3As5O12; As-Gd-O

OSTI Identifier:: 1298320

DOI:: https://doi.org/10.17188/1298320

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                    The Materials Project. Materials Data on Gd3As5O12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1298320.

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                    The Materials Project. Materials Data on Gd3As5O12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1298320

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                    The Materials Project. 2020.  
"Materials Data on Gd3As5O12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1298320.  https://www.osti.gov/servlets/purl/1298320. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1298320,

  title        = {Materials Data on Gd3As5O12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd3As5O12 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Gd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.28–2.64 Å. There are four inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There is two shorter (1.79 Å) and two longer (2.20 Å) As–O bond length. In the second As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.85 Å) and one longer (1.86 Å) As–O bond length. In the third As3+ site, As3+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.79–2.22 Å. In the fourth As3+ site, As3+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All As–O bond lengths are 1.86 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom. In the third O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Gd3+ and two As3+ atoms. In the sixth O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Gd3+ and one As3+ atom.},

  doi          = {10.17188/1298320},

  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/10.17188/1298320

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