Materials Data on Hf(MnGe)6 by Materials Project

doi:10.17188/1197292

Title: Materials Data on Hf(MnGe)6 by Materials Project

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Abstract

HfMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Ge atoms to form distorted edge-sharing HfGe8 hexagonal bipyramids. There are two shorter (2.75 Å) and six longer (2.95 Å) Hf–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.

Authors:: The Materials Project

Publication Date:: Thu May 11 00:00:00 EDT 2017

Other Number(s):: mp-22018

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; Hf(MnGe)6; Ge-Hf-Mn

OSTI Identifier:: 1197292

DOI:: https://doi.org/10.17188/1197292

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                    The Materials Project. Materials Data on Hf(MnGe)6 by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1197292.

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                    The Materials Project. Materials Data on Hf(MnGe)6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1197292

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                    The Materials Project. 2017.  
"Materials Data on Hf(MnGe)6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1197292.  https://www.osti.gov/servlets/purl/1197292. Pub date:Thu May 11 00:00:00 EDT 2017

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@article{osti_1197292,

  title        = {Materials Data on Hf(MnGe)6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {HfMn6Ge6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to eight Ge atoms to form distorted edge-sharing HfGe8 hexagonal bipyramids. There are two shorter (2.75 Å) and six longer (2.95 Å) Hf–Ge bond lengths. Mn is bonded in a 12-coordinate geometry to six Ge atoms. There are a spread of Mn–Ge bond distances ranging from 2.50–2.66 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Mn atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to three equivalent Hf and six equivalent Mn atoms. In the third Ge site, Ge is bonded in a 8-coordinate geometry to one Hf, six equivalent Mn, and one Ge atom. The Ge–Ge bond length is 2.62 Å.},

  doi          = {10.17188/1197292},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu May 11 00:00:00 EDT 2017},

  month        = {Thu May 11 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1197292

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