Materials Data on Gd(Co5Mo)2 by Materials Project

doi:10.17188/1678050

Title: Materials Data on Gd(Co5Mo)2 by Materials Project

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Abstract

Gd(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Gd–Mo bond lengths are 3.04 Å. There are a spread of Gd–Co bond distances ranging from 2.96–3.22 Å. Mo is bonded in a 10-coordinate geometry to one Gd, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.41 Å. There are a spread of Mo–Co bond distances ranging from 2.59–2.90 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Gd, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoGd2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.66 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Gd, two equivalent Mo, and eight Co atoms. There are four shorter (2.44 Å) and two longer (2.66 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Gd, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoGd2Co8Mo2 cuboctahedra. There aremore »« less

Authors:: The Materials Project

Publication Date:: 2019-01-13

Other Number(s):: mp-1225713

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; Gd(Co5Mo)2; Co-Gd-Mo

OSTI Identifier:: 1678050

DOI:: https://doi.org/10.17188/1678050

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                    The Materials Project. Materials Data on Gd(Co5Mo)2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1678050.

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                    The Materials Project. Materials Data on Gd(Co5Mo)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1678050

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                    The Materials Project. 2019.  
"Materials Data on Gd(Co5Mo)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1678050.  https://www.osti.gov/servlets/purl/1678050. Pub date:Sun Jan 13 00:00:00 EST 2019

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@article{osti_1678050,

  title        = {Materials Data on Gd(Co5Mo)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Gd(MoCo5)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Gd is bonded in a 12-coordinate geometry to two equivalent Mo and eighteen Co atoms. Both Gd–Mo bond lengths are 3.04 Å. There are a spread of Gd–Co bond distances ranging from 2.96–3.22 Å. Mo is bonded in a 10-coordinate geometry to one Gd, one Mo, and twelve Co atoms. The Mo–Mo bond length is 2.41 Å. There are a spread of Mo–Co bond distances ranging from 2.59–2.90 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Gd, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoGd2Co8Mo2 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.66 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Gd, two equivalent Mo, and eight Co atoms. There are four shorter (2.44 Å) and two longer (2.66 Å) Co–Co bond lengths. In the third Co site, Co is bonded to two equivalent Gd, two equivalent Mo, and eight Co atoms to form a mixture of distorted edge, face, and corner-sharing CoGd2Co8Mo2 cuboctahedra. There are two shorter (2.35 Å) and two longer (2.60 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Gd, four equivalent Mo, and nine Co atoms. The Co–Co bond length is 2.39 Å.},

  doi          = {10.17188/1678050},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1678050

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