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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrZnSn by Materials Project

SrZnSn is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sr is bonded to six equivalent Zn and six equivalent Sn atoms to form a mixture of face and edge-sharing SrZn6Sn6 cuboctahedra. All Sr–Zn bond lengths are 3.53 Å. All Sr–Sn bond lengths are 3.53 Å. Zn is bonded in a distorted trigonal planar geometry to six equivalent Sr and three equivalent Sn atoms. All Zn–Sn bond lengths are 2.70 Å. Sn is bonded in a 3-coordinate geometry to six equivalent Sr and three equivalent Zn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(ZnSn)2 by Materials Project

SrZn2Sn2 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Sr is bonded in a 4-coordinate geometry to eight Zn and eight Sn atoms. There are a spread of Sr–Zn bond distances ranging from 3.53–3.78 Å. There are a spread of Sr–Sn bond distances ranging from 3.51–3.77 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 9-coordinate geometry to four equivalent Sr and five Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.65–2.85 Å. In the second Zn site, Zn is bonded in a 4-coordinate geometry to four equivalent Sr and four equivalent Sn atoms. There are a spread of Zn–Sn bond distances ranging from 2.75–2.81 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to four equivalent Sr and five Zn atoms. In the second Sn site, Sn is bonded to four equivalent Sr and four equivalent Zn atoms to form a mixture of distorted edge and face-sharing SnSr4Zn4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2ZnSn by Materials Project

Sr2ZnSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sr2ZnSn ribbons oriented in the (0, 1, 0) direction. Sr is bonded in a linear geometry to one Zn and one Sn atom. The Sr–Zn bond length is 3.46 Å. The Sr–Sn bond length is 3.16 Å. Zn is bonded in a linear geometry to two equivalent Sr atoms. Sn is bonded in a linear geometry to two equivalent Sr atoms.

36 MATERIALS SCIENCE↗