Materials Data on KMg6Si by Materials Project

doi:10.17188/1712101

Title: Materials Data on KMg6Si by Materials Project

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Abstract

KMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Mg and two equivalent Si atoms. There are a spread of K–Mg bond distances ranging from 3.42–3.66 Å. Both K–Si bond lengths are 3.46 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to one K, six Mg, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.06–3.24 Å. The Mg–Si bond length is 2.75 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K, five Mg, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.25 Å. Both Mg–Si bond lengths are 2.88 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K and eight Mg atoms. Both Mg–Mg bond lengths are 3.16 Å. In the fourth Mg site, Mg is bonded in a distorted hexagonal planar geometry to six Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent K and six Mg atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1021389

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; KMg6Si; K-Mg-Si

OSTI Identifier:: 1712101

DOI:: https://doi.org/10.17188/1712101

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                    The Materials Project. Materials Data on KMg6Si by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1712101.

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                    The Materials Project. Materials Data on KMg6Si by Materials Project.  United States.  doi:https://doi.org/10.17188/1712101

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                    The Materials Project. 2020.  
"Materials Data on KMg6Si by Materials Project".  United States.  doi:https://doi.org/10.17188/1712101.  https://www.osti.gov/servlets/purl/1712101. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1712101,

  title        = {Materials Data on KMg6Si by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KMg6Si crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 12-coordinate geometry to eight Mg and two equivalent Si atoms. There are a spread of K–Mg bond distances ranging from 3.42–3.66 Å. Both K–Si bond lengths are 3.46 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a distorted single-bond geometry to one K, six Mg, and one Si atom. There are a spread of Mg–Mg bond distances ranging from 3.06–3.24 Å. The Mg–Si bond length is 2.75 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K, five Mg, and two equivalent Si atoms. There are a spread of Mg–Mg bond distances ranging from 3.00–3.25 Å. Both Mg–Si bond lengths are 2.88 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K and eight Mg atoms. Both Mg–Mg bond lengths are 3.16 Å. In the fourth Mg site, Mg is bonded in a distorted hexagonal planar geometry to six Mg atoms. Si is bonded in a 8-coordinate geometry to two equivalent K and six Mg atoms.},

  doi          = {10.17188/1712101},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1712101

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