Materials Data on Gd6CoBr10 by Materials Project

doi:10.17188/1279708

Title: Materials Data on Gd6CoBr10 by Materials Project

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Abstract

Gd6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.70 Å. There are a spread of Gd–Br bond distances ranging from 2.85–3.10 Å. In the second Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Gd–Co bond length is 2.64 Å. There are a spread of Gd–Br bond distances ranging from 2.90–3.09 Å. In the third Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.69 Å. There are a spread of Gd–Br bond distances ranging from 2.94–3.10 Å. Co is bonded in an octahedral geometry to six Gd atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-637600

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; Gd6CoBr10; Br-Co-Gd

OSTI Identifier:: 1279708

DOI:: https://doi.org/10.17188/1279708

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                    The Materials Project. Materials Data on Gd6CoBr10 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279708.

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                    The Materials Project. Materials Data on Gd6CoBr10 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279708

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                    The Materials Project. 2020.  
"Materials Data on Gd6CoBr10 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279708.  https://www.osti.gov/servlets/purl/1279708. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1279708,

  title        = {Materials Data on Gd6CoBr10 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd6CoBr10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Gd sites. In the first Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.70 Å. There are a spread of Gd–Br bond distances ranging from 2.85–3.10 Å. In the second Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–5°. The Gd–Co bond length is 2.64 Å. There are a spread of Gd–Br bond distances ranging from 2.90–3.09 Å. In the third Gd site, Gd is bonded to one Co and five Br atoms to form a mixture of edge and corner-sharing GdCoBr5 octahedra. The corner-sharing octahedra tilt angles range from 0–6°. The Gd–Co bond length is 2.69 Å. There are a spread of Gd–Br bond distances ranging from 2.94–3.10 Å. Co is bonded in an octahedral geometry to six Gd atoms. There are five inequivalent Br sites. In the first Br site, Br is bonded in a T-shaped geometry to three Gd atoms. In the second Br site, Br is bonded in a T-shaped geometry to three Gd atoms. In the third Br site, Br is bonded in a see-saw-like geometry to four Gd atoms. In the fourth Br site, Br is bonded in a 3-coordinate geometry to three Gd atoms. In the fifth Br site, Br is bonded in an L-shaped geometry to two Gd atoms.},

  doi          = {10.17188/1279708},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279708

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