Materials Data on CaMnSb2 by Materials Project

doi:10.17188/1196403

Title: Materials Data on CaMnSb2 by Materials Project

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Abstract

CaMnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.30–3.36 Å. Mn2+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb2- atoms. There are two shorter (3.00 Å) and two longer (3.20 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Mn2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-21131

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; CaMnSb2; Ca-Mn-Sb

OSTI Identifier:: 1196403

DOI:: https://doi.org/10.17188/1196403

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                    The Materials Project. Materials Data on CaMnSb2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1196403.

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                    The Materials Project. Materials Data on CaMnSb2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1196403

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                    The Materials Project. 2020.  
"Materials Data on CaMnSb2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1196403.  https://www.osti.gov/servlets/purl/1196403. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1196403,

  title        = {Materials Data on CaMnSb2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaMnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Ca–Sb bond distances ranging from 3.30–3.36 Å. Mn2+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing MnSb4 tetrahedra. All Mn–Sb bond lengths are 2.70 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Sb2- atoms. There are two shorter (3.00 Å) and two longer (3.20 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Ca2+ and four equivalent Mn2+ atoms.},

  doi          = {10.17188/1196403},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1196403

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