Materials Data on MgSb2 by Materials Project

doi:10.17188/1698944

Title: Materials Data on MgSb2 by Materials Project

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Abstract

MgSb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSb2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.02–3.31 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and one Sb1- atom. The Sb–Sb bond length is 3.03 Å. In the second Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four equivalent Mg2+ and three Sb1- atoms. Both Sb–Sb bond lengths are 3.22 Å.

Publication Date:: 2020-05-02

Other Number(s):: mp-1094527

DOE Contract Number:: AC02-05CH11231

Research Org.:: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Collaborations:: The Materials Project; MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE; Mg-Sb; MgSb2; crystal structure

OSTI Identifier:: 1698944

DOI:: https://doi.org/10.17188/1698944

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                    Materials Data on MgSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698944.

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                    Materials Data on MgSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1698944

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                    2020.  
"Materials Data on MgSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1698944.  https://www.osti.gov/servlets/purl/1698944. Pub date:Sat May 02 04:00:00 UTC 2020

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@article{osti_1698944,

  title        = {Materials Data on MgSb2 by Materials Project},

  
  abstractNote = {MgSb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSb2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 7-coordinate geometry to seven Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.02–3.31 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and one Sb1- atom. The Sb–Sb bond length is 3.03 Å. In the second Sb1- site, Sb1- is bonded in a 7-coordinate geometry to four equivalent Mg2+ and three Sb1- atoms. Both Sb–Sb bond lengths are 3.22 Å.},

  doi          = {10.17188/1698944},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698944

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Materials Data on MgSb2 by Materials Project

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MgSb2 is Titanium Disilicide-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a distorted q6 geometry to ten equivalent Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.14–3.41 Å. Sb1- is bonded in a 10-coordinate geometry to five equivalent Mg2+ and five equivalent Sb1- atoms. There are a spread of Sb–Sb bond distances ranging from 3.12–3.34 Å.
Materials Data on MgSb2 by Materials Project

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MgSb2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one MgSb2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded in a 5-coordinate geometry to five Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.02–3.08 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to three equivalent Mg2+ and three Sb1- atoms. There are one shorter (2.99 Å) and two longer (3.22 Å) Sb–Sb bond lengths. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometrymore »« less
Materials Data on MgSb2 by Materials Project

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MgSb2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 2.90–3.38 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 6-coordinate geometry to four equivalent Mg2+ atoms. In the second Sb1- site, Sb1- is bonded in a 6-coordinate geometry to two equivalent Mg2+ and four equivalent Sb1- atoms. There are two shorter (3.11 Å) and two longer (3.25 Å) Sb–Sb bond lengths.
Materials Data on MgSb2 by Materials Project

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MgSb2 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 6-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 2.91–3.50 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.12–3.36 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 3-coordinate geometry to three Mg2+ atoms. In the second Sb1-more »« less
Materials Data on MgSb2 by Materials Project

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MgSb2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.17–3.30 Å. In the second Mg2+ site, Mg2+ is bonded in a 8-coordinate geometry to eight Sb1- atoms. There are a spread of Mg–Sb bond distances ranging from 3.27–3.44 Å. There are four inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and two equivalent Sb1-more »« less

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