Materials Data on RbMg6W by Materials Project

doi:10.17188/1651779

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 six equivalent RbMg12 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, and faces with six equivalent WMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.22–3.24 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. There are a spread of Mg–Mg bond distances ranging from 2.88–3.21 Å. Both Mg–W bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. All Mg–Mg bond lengths are 3.19 Å. Both Mg–W bond lengths are 3.06 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. There are one shorter (3.04 Å) and one longer (3.40 Å) Mg–Mg bond lengths. There are one shorter (3.20 Å) and one longer (3.24 Å) Mg–W bond lengths. In the fourth Mg site, Mg is bondedmore »« less

Authors:: The Materials Project

Publication Date:: 2018-05-18

Other Number(s):: mp-1017202

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:: 1651779

DOI:: https://doi.org/10.17188/1651779

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                    The Materials Project. Materials Data on RbMg6W by Materials Project.  United States: N. p., 2018. 
        Web.  doi:10.17188/1651779.

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                    The Materials Project. Materials Data on RbMg6W by Materials Project.  United States.  doi:https://doi.org/10.17188/1651779

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                    The Materials Project. 2018.  
"Materials Data on RbMg6W by Materials Project".  United States.  doi:https://doi.org/10.17188/1651779.  https://www.osti.gov/servlets/purl/1651779. Pub date:Fri May 18 00:00:00 EDT 2018

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@article{osti_1651779,

  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 six equivalent RbMg12 cuboctahedra, faces with two equivalent RbMg12 cuboctahedra, and faces with six equivalent WMg12 cuboctahedra. There are a spread of Rb–Mg bond distances ranging from 3.22–3.24 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. There are a spread of Mg–Mg bond distances ranging from 2.88–3.21 Å. Both Mg–W bond lengths are 3.05 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. All Mg–Mg bond lengths are 3.19 Å. Both Mg–W bond lengths are 3.06 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to two equivalent Rb, six Mg, and two equivalent W atoms. There are one shorter (3.04 Å) and one longer (3.40 Å) Mg–Mg bond lengths. There are one shorter (3.20 Å) and one longer (3.24 Å) Mg–W bond lengths. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent Rb, eight Mg, and two equivalent W atoms. Both Mg–W bond lengths are 3.24 Å. W is bonded to twelve Mg atoms to form WMg12 cuboctahedra that share corners with six equivalent WMg12 cuboctahedra, faces with two equivalent WMg12 cuboctahedra, and faces with six equivalent RbMg12 cuboctahedra.},

  doi          = {10.17188/1651779},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2018},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1651779

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