Materials Data on Gd3BiO3 by Materials Project

doi:10.17188/1706843

Title: Materials Data on Gd3BiO3 by Materials Project

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Abstract

Gd3BiO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four O atoms. There are two shorter (3.46 Å) and two longer (3.51 Å) Gd–Bi bond lengths. There are a spread of Gd–O bond distances ranging from 2.28–2.69 Å. In the second Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.35 Å. There are a spread of Gd–O bond distances ranging from 2.25–2.35 Å. In the third Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.30 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. Bi is bonded in a body-centered cubic geometry to eight Gd atoms. There are three inequivalent O sites. In the first O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O site, O is bonded to four Gd atoms to form a mixturemore »« less

Authors:: The Materials Project

Publication Date:: Mon May 04 00:00:00 EDT 2020

Other Number(s):: mp-1103896

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; Gd3BiO3; Bi-Gd-O

OSTI Identifier:: 1706843

DOI:: https://doi.org/10.17188/1706843

Citation Formats


                    The Materials Project. Materials Data on Gd3BiO3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1706843.

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                    The Materials Project. Materials Data on Gd3BiO3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1706843

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                    The Materials Project. 2020.  
"Materials Data on Gd3BiO3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1706843.  https://www.osti.gov/servlets/purl/1706843. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1706843,

  title        = {Materials Data on Gd3BiO3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd3BiO3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded in a 4-coordinate geometry to four equivalent Bi and four O atoms. There are two shorter (3.46 Å) and two longer (3.51 Å) Gd–Bi bond lengths. There are a spread of Gd–O bond distances ranging from 2.28–2.69 Å. In the second Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.35 Å. There are a spread of Gd–O bond distances ranging from 2.25–2.35 Å. In the third Gd site, Gd is bonded in a distorted see-saw-like geometry to two equivalent Bi and four O atoms. Both Gd–Bi bond lengths are 3.30 Å. There are a spread of Gd–O bond distances ranging from 2.26–2.49 Å. Bi is bonded in a body-centered cubic geometry to eight Gd atoms. There are three inequivalent O sites. In the first O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 tetrahedra. In the second O site, O is bonded to four Gd atoms to form a mixture of edge and corner-sharing OGd4 trigonal pyramids. In the third O site, O is bonded to four Gd atoms to form a mixture of distorted edge and corner-sharing OGd4 trigonal pyramids.},

  doi          = {10.17188/1706843},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon May 04 00:00:00 EDT 2020},

  month        = {Mon May 04 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1706843

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