Materials Data on YMg6Co by Materials Project

doi:10.17188/1672185

Title: Materials Data on YMg6Co by Materials Project

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Abstract

Mg6YCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four Mg, two equivalent Y, and one Co atom. There are two shorter (3.07 Å) and two longer (3.35 Å) Mg–Mg bond lengths. There are one shorter (3.33 Å) and one longer (3.35 Å) Mg–Y bond lengths. The Mg–Co bond length is 2.86 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two Mg, two equivalent Y, and two equivalent Co atoms. There are one shorter (2.96 Å) and one longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.18 Å. Both Mg–Co bond lengths are 2.96 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. Both Mg–Mg bond lengths are 3.00 Å. Both Mg–Y bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. Both Mg–Co bond lengths are 3.09 Å. Y is bonded in a 12-coordinate geometry to ten Mg and twomore »« less

Authors:: The Materials Project

Publication Date:: 2017-04-17

Other Number(s):: mp-1022910

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; YMg6Co; Co-Mg-Y

OSTI Identifier:: 1672185

DOI:: https://doi.org/10.17188/1672185

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                    The Materials Project. Materials Data on YMg6Co by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1672185.

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                    The Materials Project. Materials Data on YMg6Co by Materials Project.  United States.  doi:https://doi.org/10.17188/1672185

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                    The Materials Project. 2017.  
"Materials Data on YMg6Co by Materials Project".  United States.  doi:https://doi.org/10.17188/1672185.  https://www.osti.gov/servlets/purl/1672185. Pub date:Mon Apr 17 00:00:00 EDT 2017

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@article{osti_1672185,

  title        = {Materials Data on YMg6Co by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6YCo crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to four Mg, two equivalent Y, and one Co atom. There are two shorter (3.07 Å) and two longer (3.35 Å) Mg–Mg bond lengths. There are one shorter (3.33 Å) and one longer (3.35 Å) Mg–Y bond lengths. The Mg–Co bond length is 2.86 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two Mg, two equivalent Y, and two equivalent Co atoms. There are one shorter (2.96 Å) and one longer (3.15 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.18 Å. Both Mg–Co bond lengths are 2.96 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to eight Mg and two equivalent Y atoms. Both Mg–Mg bond lengths are 3.00 Å. Both Mg–Y bond lengths are 3.13 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to eight Mg and two equivalent Co atoms. Both Mg–Co bond lengths are 3.09 Å. Y is bonded in a 12-coordinate geometry to ten Mg and two equivalent Co atoms. Both Y–Co bond lengths are 2.99 Å. Co is bonded in a 10-coordinate geometry to eight Mg and two equivalent Y atoms.},

  doi          = {10.17188/1672185},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {4}

}

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DOI: https://doi.org/10.17188/1672185

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