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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrZnSb2 by Materials Project

SrZnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Sr–Sb bond distances ranging from 3.44–3.50 Å. Zn2+ is bonded to four equivalent Sb2- atoms to form a mixture of corner and edge-sharing ZnSb4 tetrahedra. There are two shorter (2.79 Å) and two longer (2.80 Å) Zn–Sb bond lengths. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Sb2- atoms. There are two shorter (2.99 Å) and two longer (3.31 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ZnSb)2 by Materials Project

SrZn2Sb2 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 ZnSb4 tetrahedra, edges with six equivalent SrSb6 octahedra, and edges with six equivalent ZnSb4 tetrahedra. All Sr–Sb bond lengths are 3.37 Å. Zn2+ is bonded to four equivalent Sb3- atoms to form ZnSb4 tetrahedra that share corners with six equivalent SrSb6 octahedra, corners with six equivalent ZnSb4 tetrahedra, edges with three equivalent SrSb6 octahedra, and edges with three equivalent ZnSb4 tetrahedra. The corner-sharing octahedra tilt angles range from 23–51°. There are three shorter (2.74 Å) and one longer (2.83 Å) Zn–Sb bond lengths. Sb3- is bonded to three equivalent Sr2+ and four equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing SbSr3Zn4 pentagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrZnSb2 by Materials Project

SrZnSb2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight Sb2- atoms. There are a spread of Sr–Sb bond distances ranging from 3.43–3.50 Å. Zn2+ is bonded to four equivalent Sb2- atoms to form a mixture of edge and corner-sharing ZnSb4 tetrahedra. There are a spread of Zn–Sb bond distances ranging from 2.79–2.82 Å. There are two inequivalent Sb2- sites. In the first Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Sb2- atoms. There are two shorter (2.95 Å) and two longer (3.38 Å) Sb–Sb bond lengths. In the second Sb2- site, Sb2- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2ZnSb2 by Materials Project

Sr2ZnSb2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Sr2+ is bonded to six Sb3- atoms to form a mixture of distorted edge, corner, and face-sharing SrSb6 octahedra. The corner-sharing octahedra tilt angles range from 43–49°. There are three shorter (3.29 Å) and three longer (3.71 Å) Sr–Sb bond lengths. Zn2+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Zn–Sb bond lengths are 2.71 Å. There are two inequivalent Sb3- sites. In the first Sb3- site, Sb3- is bonded in a 6-coordinate geometry to six equivalent Sr2+ atoms. In the second Sb3- site, Sb3- is bonded in a distorted trigonal planar geometry to six equivalent Sr2+ and three equivalent Zn2+ atoms.

36 MATERIALS SCIENCE↗