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Materials Data on SrZn5 by Materials Project

SrZn5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sr is bonded in a 9-coordinate geometry to seventeen Zn atoms. There are a spread of Sr–Zn bond distances ranging from 3.29–3.78 Å. There are four inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to three equivalent Sr and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.94 Å. In the second Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Sr and seven Zn atoms. There are two shorter (2.60 Å) and two longer (2.74 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 12-coordinate geometry to four equivalent Sr and eight Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.57–2.66 Å. In the fourth Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Sr and seven Zn atoms. Both Zn–Zn bond lengths are 2.97 Å.

36 MATERIALS SCIENCE↗

Materials Data on SrZn5 by Materials Project

SrZn5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sr is bonded in a 6-coordinate geometry to eighteen Zn atoms. There are six shorter (3.23 Å) and twelve longer (3.51 Å) Sr–Zn bond lengths. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to three equivalent Sr and six equivalent Zn atoms. All Zn–Zn bond lengths are 2.66 Å. In the second Zn site, Zn is bonded to four equivalent Sr and eight Zn atoms to form a mixture of edge, face, and corner-sharing ZnSr4Zn8 cuboctahedra. All Zn–Zn bond lengths are 2.80 Å.

36 MATERIALS SCIENCE↗