Materials Data on MgSb2 by Materials Project

doi:10.17188/1652218

Title: Materials Data on MgSb2 by Materials Project

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Abstract

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.

Publication Date:: 2020-05-02

Other Number(s):: mp-1094516

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; crystal structure; Mg-Sb; MgSb2

OSTI Identifier:: 1652218

DOI:: https://doi.org/10.17188/1652218

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                    Materials Data on MgSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1652218.

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                    Materials Data on MgSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1652218

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                    2020.  
"Materials Data on MgSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1652218.  https://www.osti.gov/servlets/purl/1652218. Pub date:Sat May 02 20:00:00 EDT 2020

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@article{osti_1652218,

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

  
  abstractNote = {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.},

  doi          = {10.17188/1652218},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1652218

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Materials Data on MgSb2 by Materials Project

Dataset

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 3.05–3.38 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ atoms. In the second Sb1- site, Sb1- is bonded in a 5-coordinate geometry to five equivalent Mg2+ atoms.
Materials Data on MgSb2 by Materials Project

Dataset

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-more »« less
Materials Data on MgSb2 by Materials Project

Dataset

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

Dataset

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

Dataset

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

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