Materials Data on Mg(NiGe)6 by Materials Project

doi:10.17188/1662352

Title: Materials Data on Mg(NiGe)6 by Materials Project

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Abstract

Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Ni atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å.

Authors:: The Materials Project

Publication Date:: 2018-07-18

Other Number(s):: mp-1104779

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; Mg(NiGe)6; Ge-Mg-Ni

OSTI Identifier:: 1662352

DOI:: https://doi.org/10.17188/1662352

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                    The Materials Project. Materials Data on Mg(NiGe)6 by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1662352.

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                    The Materials Project. Materials Data on Mg(NiGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1662352

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                    The Materials Project. 2018.  
"Materials Data on Mg(NiGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1662352.  https://www.osti.gov/servlets/purl/1662352. Pub date:Wed Jul 18 00:00:00 EDT 2018

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@article{osti_1662352,

  title        = {Materials Data on Mg(NiGe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg(NiGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Ni and eight Ge atoms to form distorted face-sharing MgNi12Ge8 hexagonal bipyramids. All Mg–Ni bond lengths are 3.21 Å. There are two shorter (2.66 Å) and six longer (2.95 Å) Mg–Ge bond lengths. Ni is bonded in a 12-coordinate geometry to two equivalent Mg, four equivalent Ni, and six Ge atoms. All Ni–Ni bond lengths are 2.55 Å. There are a spread of Ni–Ge bond distances ranging from 2.45–2.65 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Mg and six equivalent Ni atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Ni atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.52 Å.},

  doi          = {10.17188/1662352},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1662352

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