Materials Data on RbMg6W by Materials Project

doi:10.17188/1743875

Title: Materials Data on RbMg6W by Materials Project

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Abstract

RbMg6W crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to twelve Mg atoms to form RbMg12 cuboctahedra that share corners with four equivalent RbMg12 cuboctahedra, corners with eight equivalent WMg12 cuboctahedra, edges with eight equivalent MgRb2Mg8W2 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, faces with four equivalent MgRb2Mg8W2 cuboctahedra, and faces with four equivalent WMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.37–3.54 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Rb, eight Mg, and two equivalent W atoms to form distorted MgRb2Mg8W2 cuboctahedra that share corners with twelve equivalent MgRb2Mg8W2 cuboctahedra, edges with four equivalent RbMg12 cuboctahedra, edges with four equivalent WMg12 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, faces with two equivalent WMg12 cuboctahedra, and faces with six equivalent MgRb2Mg8W2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.24–3.27 Å. There are one shorter (3.36 Å) and one longer (3.38 Å) Mg–W bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, four equivalent Mg, and two equivalent W atoms. Both Mg–W bond lengths are 2.95 Å.more »« less

Authors:: The Materials Project

Publication Date:: Tue May 05 00:00:00 EDT 2020

Other Number(s):: mp-1017182

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; RbMg6W; Mg-Rb-W

OSTI Identifier:: 1743875

DOI:: https://doi.org/10.17188/1743875

Citation Formats


                    The Materials Project. Materials Data on RbMg6W by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743875.

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                    The Materials Project. Materials Data on RbMg6W by Materials Project.  United States.  doi:https://doi.org/10.17188/1743875

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                    The Materials Project. 2020.  
"Materials Data on RbMg6W by Materials Project".  United States.  doi:https://doi.org/10.17188/1743875.  https://www.osti.gov/servlets/purl/1743875. Pub date:Tue May 05 00:00:00 EDT 2020

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@article{osti_1743875,

  title        = {Materials Data on RbMg6W by Materials Project},

  author       = {The Materials Project},

  abstractNote = {RbMg6W crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Rb is bonded to twelve Mg atoms to form RbMg12 cuboctahedra that share corners with four equivalent RbMg12 cuboctahedra, corners with eight equivalent WMg12 cuboctahedra, edges with eight equivalent MgRb2Mg8W2 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, faces with four equivalent MgRb2Mg8W2 cuboctahedra, and faces with four equivalent WMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.37–3.54 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent Rb, eight Mg, and two equivalent W atoms to form distorted MgRb2Mg8W2 cuboctahedra that share corners with twelve equivalent MgRb2Mg8W2 cuboctahedra, edges with four equivalent RbMg12 cuboctahedra, edges with four equivalent WMg12 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, faces with two equivalent WMg12 cuboctahedra, and faces with six equivalent MgRb2Mg8W2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.24–3.27 Å. There are one shorter (3.36 Å) and one longer (3.38 Å) Mg–W bond lengths. In the second Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, four equivalent Mg, and two equivalent W atoms. Both Mg–W bond lengths are 2.95 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, four equivalent Mg, and two equivalent W atoms. Both Mg–W bond lengths are 2.94 Å. In the fourth Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent Rb, four equivalent Mg, and two equivalent W atoms. Both Mg–W bond lengths are 2.93 Å. W is bonded to twelve Mg atoms to form WMg12 cuboctahedra that share corners with four equivalent WMg12 cuboctahedra, corners with eight equivalent RbMg12 cuboctahedra, edges with eight equivalent MgRb2Mg8W2 cuboctahedra, faces with two equivalent WMg12 cuboctahedra, faces with four equivalent RbMg12 cuboctahedra, and faces with four equivalent MgRb2Mg8W2 cuboctahedra.},

  doi          = {10.17188/1743875},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue May 05 00:00:00 EDT 2020},

  month        = {Tue May 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1743875

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