Materials Data on Mg2TiB2Ir5 by Materials Project

doi:10.17188/1695407

Title: Materials Data on Mg2TiB2Ir5 by Materials Project

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Abstract

Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Mg–Ir bond distances ranging from 2.80–2.98 Å. There are one shorter (2.70 Å) and two longer (2.90 Å) Mg–B bond lengths. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.62 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Ti, and two equivalent B atoms. Both Ir–B bond lengths are 2.19 Å. B is bonded in a 7-coordinate geometry to three equivalent Mg and six Ir atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-04

Other Number(s):: mp-1188988

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; Mg2TiB2Ir5; B-Ir-Mg-Ti

OSTI Identifier:: 1695407

DOI:: https://doi.org/10.17188/1695407

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                    The Materials Project. Materials Data on Mg2TiB2Ir5 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695407.

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                    The Materials Project. Materials Data on Mg2TiB2Ir5 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695407

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                    The Materials Project. 2020.  
"Materials Data on Mg2TiB2Ir5 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695407.  https://www.osti.gov/servlets/purl/1695407. Pub date:Mon May 04 00:00:00 EDT 2020

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@article{osti_1695407,

  title        = {Materials Data on Mg2TiB2Ir5 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Mg2TiIr5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Mg is bonded in a 11-coordinate geometry to ten Ir and three equivalent B atoms. There are a spread of Mg–Ir bond distances ranging from 2.80–2.98 Å. There are one shorter (2.70 Å) and two longer (2.90 Å) Mg–B bond lengths. Ti is bonded in a body-centered cubic geometry to eight equivalent Ir atoms. All Ti–Ir bond lengths are 2.62 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Ir–B bond lengths are 2.23 Å. In the second Ir site, Ir is bonded in a 8-coordinate geometry to four equivalent Mg, two equivalent Ti, and two equivalent B atoms. Both Ir–B bond lengths are 2.19 Å. B is bonded in a 7-coordinate geometry to three equivalent Mg and six Ir atoms.},

  doi          = {10.17188/1695407},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695407

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