Materials Data on KMg6V by Materials Project

doi:10.17188/1746814

Title: Materials Data on KMg6V by Materials Project

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Abstract

KMg6V crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to two equivalent K and twelve Mg atoms. Both K–K bond lengths are 3.46 Å. There are a spread of K–Mg bond distances ranging from 3.57–3.84 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the second Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.88 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.85 Å. In the fifth Mg site, Mg is bonded in amore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1021848

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; KMg6V; K-Mg-V

OSTI Identifier:: 1746814

DOI:: https://doi.org/10.17188/1746814

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                    The Materials Project. Materials Data on KMg6V by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1746814.

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                    The Materials Project. Materials Data on KMg6V by Materials Project.  United States.  doi:https://doi.org/10.17188/1746814

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                    The Materials Project. 2020.  
"Materials Data on KMg6V by Materials Project".  United States.  doi:https://doi.org/10.17188/1746814.  https://www.osti.gov/servlets/purl/1746814. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1746814,

  title        = {Materials Data on KMg6V by Materials Project},

  author       = {The Materials Project},

  abstractNote = {KMg6V crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to two equivalent K and twelve Mg atoms. Both K–K bond lengths are 3.46 Å. There are a spread of K–Mg bond distances ranging from 3.57–3.84 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the second Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.88 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.85 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.86 Å. V is bonded in a body-centered cubic geometry to eight Mg atoms.},

  doi          = {10.17188/1746814},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1746814

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