Materials Data on MgSb by Materials Project

doi:10.17188/1711045

Title: Materials Data on MgSb by Materials Project

Dataset
Other Related Research

Abstract

MgSb crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight Sb2- atoms to form distorted MgSb8 hexagonal bipyramids that share corners with two equivalent MgSb8 hexagonal bipyramids, corners with four equivalent MgSb4 trigonal pyramids, edges with six equivalent MgSb8 hexagonal bipyramids, and edges with eight equivalent MgSb4 trigonal pyramids. There are a spread of Mg–Sb bond distances ranging from 2.91–3.32 Å. In the second Mg2+ site, Mg2+ is bonded to four Sb2- atoms to form distorted MgSb4 trigonal pyramids that share corners with two equivalent MgSb8 hexagonal bipyramids, corners with eight equivalent MgSb4 trigonal pyramids, and edges with four equivalent MgSb8 hexagonal bipyramids. There are a spread of Mg–Sb bond distances ranging from 2.98–3.08 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Mg2+ and three equivalent Sb2- atoms. There are one shorter (3.01 Å) and two longer (3.35 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded to six Mg2+ atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1094552

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; MgSb; Mg-Sb

OSTI Identifier:: 1711045

DOI:: https://doi.org/10.17188/1711045

Citation Formats


                    The Materials Project. Materials Data on MgSb by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711045.

Copy to clipboard


                    The Materials Project. Materials Data on MgSb by Materials Project.  United States.  doi:https://doi.org/10.17188/1711045

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on MgSb by Materials Project".  United States.  doi:https://doi.org/10.17188/1711045.  https://www.osti.gov/servlets/purl/1711045. Pub date:Sun May 03 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1711045,

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

  author       = {The Materials Project},

  abstractNote = {MgSb crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to eight Sb2- atoms to form distorted MgSb8 hexagonal bipyramids that share corners with two equivalent MgSb8 hexagonal bipyramids, corners with four equivalent MgSb4 trigonal pyramids, edges with six equivalent MgSb8 hexagonal bipyramids, and edges with eight equivalent MgSb4 trigonal pyramids. There are a spread of Mg–Sb bond distances ranging from 2.91–3.32 Å. In the second Mg2+ site, Mg2+ is bonded to four Sb2- atoms to form distorted MgSb4 trigonal pyramids that share corners with two equivalent MgSb8 hexagonal bipyramids, corners with eight equivalent MgSb4 trigonal pyramids, and edges with four equivalent MgSb8 hexagonal bipyramids. There are a spread of Mg–Sb bond distances ranging from 2.98–3.08 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to five Mg2+ and three equivalent Sb2- atoms. There are one shorter (3.01 Å) and two longer (3.35 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded to six Mg2+ atoms to form distorted corner-sharing SbMg6 pentagonal pyramids.},

  doi          = {10.17188/1711045},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1711045

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 Ba(MgSb)2 by Materials Project

Dataset The Materials Project

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°. Theremore »« less

Similar Records