Materials Data on Mg6CdC by Materials Project

doi:10.17188/1672007

Title: Materials Data on Mg6CdC by Materials Project

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Abstract

Mg6CdC 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 bent 120 degrees geometry to four Mg, two equivalent Cd, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.35 Å. There are one shorter (3.20 Å) and one longer (3.24 Å) Mg–Cd bond lengths. Both Mg–C bond lengths are 2.71 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Cd atoms. There are four shorter (2.96 Å) and two longer (3.03 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.22 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to four Mg, two equivalent Cd, and one C atom. There are one shorter (3.09 Å) and one longer (3.33 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 2.89 Å. The Mg–C bond length is 2.24 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. Cd is bonded in a 10-coordinate geometry to ten Mg atoms. C is bonded inmore »« less

Authors:: The Materials Project

Publication Date:: 2017-06-07

Other Number(s):: mp-1017207

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; Mg6CdC; C-Cd-Mg

OSTI Identifier:: 1672007

DOI:: https://doi.org/10.17188/1672007

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                    The Materials Project. Materials Data on Mg6CdC by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1672007.

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                    The Materials Project. Materials Data on Mg6CdC by Materials Project.  United States.  doi:https://doi.org/10.17188/1672007

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                    The Materials Project. 2017.  
"Materials Data on Mg6CdC by Materials Project".  United States.  doi:https://doi.org/10.17188/1672007.  https://www.osti.gov/servlets/purl/1672007. Pub date:Wed Jun 07 00:00:00 EDT 2017

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@article{osti_1672007,

  title        = {Materials Data on Mg6CdC by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg6CdC 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 bent 120 degrees geometry to four Mg, two equivalent Cd, and two equivalent C atoms. There are a spread of Mg–Mg bond distances ranging from 3.01–3.35 Å. There are one shorter (3.20 Å) and one longer (3.24 Å) Mg–Cd bond lengths. Both Mg–C bond lengths are 2.71 Å. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Mg and two equivalent Cd atoms. There are four shorter (2.96 Å) and two longer (3.03 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 3.22 Å. In the third Mg site, Mg is bonded in a distorted single-bond geometry to four Mg, two equivalent Cd, and one C atom. There are one shorter (3.09 Å) and one longer (3.33 Å) Mg–Mg bond lengths. Both Mg–Cd bond lengths are 2.89 Å. The Mg–C bond length is 2.24 Å. In the fourth Mg site, Mg is bonded in a 10-coordinate geometry to ten Mg atoms. Cd is bonded in a 10-coordinate geometry to ten Mg atoms. C is bonded in a distorted hexagonal planar geometry to six Mg atoms.},

  doi          = {10.17188/1672007},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2017},

  month        = {6}

}

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DOI: https://doi.org/10.17188/1672007

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