Materials Data on Ba(MgSb)2 by Materials Project

doi:10.17188/1313337

Title: Materials Data on Ba(MgSb)2 by Materials Project

Dataset
Other Related Research

Abstract

Ba(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form BaSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent BaSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Ba–Sb bond lengths are 3.55 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent BaSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent BaSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.92 Å) and one longer (2.93 Å) Mg–Sb bond lengths. Sb3- is bonded to three equivalent Ba2+ and four equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbBa3Mg4 pentagonal bipyramids.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-9567

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; Ba(MgSb)2; Ba-Mg-Sb

OSTI Identifier:: 1313337

DOI:: https://doi.org/10.17188/1313337

Citation Formats


                    The Materials Project. Materials Data on Ba(MgSb)2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1313337.

Copy to clipboard


                    The Materials Project. Materials Data on Ba(MgSb)2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1313337

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on Ba(MgSb)2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1313337.  https://www.osti.gov/servlets/purl/1313337. Pub date:Thu Jul 16 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1313337,

  title        = {Materials Data on Ba(MgSb)2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Ba(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form BaSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent BaSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Ba–Sb bond lengths are 3.55 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent BaSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent BaSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 21–52°. There are three shorter (2.92 Å) and one longer (2.93 Å) Mg–Sb bond lengths. Sb3- is bonded to three equivalent Ba2+ and four equivalent Mg2+ atoms to form a mixture of distorted edge and corner-sharing SbBa3Mg4 pentagonal bipyramids.},

  doi          = {10.17188/1313337},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1313337

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on Yb(MgSb)2 by Materials Project

Dataset The Materials Project

Yb(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent YbSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent YbSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. There are three shorter (2.87 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Yb2+ is bonded to six equivalent Sb3- atoms to form YbSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent YbSb6 octahedra, andmore »« less
Materials Data on Eu(MgSb)2 by Materials Project

Dataset The Materials Project

Eu(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent EuSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent EuSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 17–55°. There are three shorter (2.89 Å) and one longer (2.94 Å) Mg–Sb bond lengths. Eu2+ is bonded to six equivalent Sb3- atoms to form EuSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent EuSb6 octahedra, andmore »« less
Materials Data on Sr(MgSb)2 by Materials Project

Dataset The Materials Project

Sr(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sr2+ is bonded to six equivalent Sb3- atoms to form SrSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent SrSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Sr–Sb bond lengths are 3.41 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–54°. Theremore »« less
Materials Data on Ca(MgSb)2 by Materials Project

Dataset The Materials Project

Ca(MgSb)2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Sb3- atoms to form CaSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent CaSb6 octahedra, and edges with six equivalent MgSb4 tetrahedra. All Ca–Sb bond lengths are 3.28 Å. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent CaSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent CaSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 15–56°. Theremore »« less
Materials Data on Sm(MgSb)2 by Materials Project

Dataset The Materials Project

SmMg2Sb2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Mg2+ is bonded to four equivalent Sb3- atoms to form MgSb4 tetrahedra that share corners with six equivalent SmSb6 octahedra, corners with six equivalent MgSb4 tetrahedra, edges with three equivalent SmSb6 octahedra, and edges with three equivalent MgSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 16–57°. There are three shorter (2.84 Å) and one longer (2.91 Å) Mg–Sb bond lengths. Sm2+ is bonded to six equivalent Sb3- atoms to form SmSb6 octahedra that share corners with twelve equivalent MgSb4 tetrahedra, edges with six equivalent SmSb6 octahedra, andmore »« less

Similar Records