Materials Data on RbMg by Materials Project

doi:10.17188/1677959

Title: Materials Data on RbMg by Materials Project

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Abstract

MgRb crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two MgRb sheets oriented in the (0, 1, 0) direction. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Both Rb–Rb bond lengths are 4.78 Å. All Rb–Mg bond lengths are 3.81 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to two equivalent Rb and four Mg atoms. Both Rb–Rb bond lengths are 4.20 Å. There are two shorter (4.03 Å) and two longer (4.07 Å) Rb–Mg bond lengths. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six Rb atoms. There are two shorter (4.20 Å) and two longer (4.93 Å) Rb–Rb bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. There are two shorter (3.14 Å) and four longer (3.25 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Rb and four Mg atoms. Both Mg–Mg bondmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1186894

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; RbMg; Mg-Rb

OSTI Identifier:: 1677959

DOI:: https://doi.org/10.17188/1677959

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                    The Materials Project. Materials Data on RbMg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1677959.

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                    The Materials Project. Materials Data on RbMg by Materials Project.  United States.  doi:https://doi.org/10.17188/1677959

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                    The Materials Project. 2020.  
"Materials Data on RbMg by Materials Project".  United States.  doi:https://doi.org/10.17188/1677959.  https://www.osti.gov/servlets/purl/1677959. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1677959,

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

  author       = {The Materials Project},

  abstractNote = {MgRb crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two MgRb sheets oriented in the (0, 1, 0) direction. there are three inequivalent Rb sites. In the first Rb site, Rb is bonded in a 4-coordinate geometry to two equivalent Rb and four equivalent Mg atoms. Both Rb–Rb bond lengths are 4.78 Å. All Rb–Mg bond lengths are 3.81 Å. In the second Rb site, Rb is bonded in a 6-coordinate geometry to two equivalent Rb and four Mg atoms. Both Rb–Rb bond lengths are 4.20 Å. There are two shorter (4.03 Å) and two longer (4.07 Å) Rb–Mg bond lengths. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six Rb atoms. There are two shorter (4.20 Å) and two longer (4.93 Å) Rb–Rb bond lengths. There are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms. There are two shorter (3.14 Å) and four longer (3.25 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded in a 8-coordinate geometry to four equivalent Rb and four Mg atoms. Both Mg–Mg bond lengths are 3.07 Å. In the third Mg site, Mg is bonded in a 8-coordinate geometry to two equivalent Rb and six Mg atoms.},

  doi          = {10.17188/1677959},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1677959

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