Materials Data on Zn2Sn2O5 by Materials Project
Zn2Sn2O5 crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded to four O2- atoms to form distorted ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with two equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.04–2.13 Å. In the second Zn2+ site, Zn2+ is bonded to four O2- atoms to form ZnO4 tetrahedra that share corners with two equivalent ZnO4 tetrahedra, corners with six equivalent SnO5 trigonal bipyramids, and an edgeedge with one ZnO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 2.02–2.16 Å. There are two inequivalent Sn3+ sites. In the first Sn3+ site, Sn3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Sn–O bond distances ranging from 2.01–2.65 Å. In the second Sn3+ site, Sn3+ is bonded to five O2- atoms to form distorted SnO5 trigonal bipyramids that share corners with eight ZnO4 tetrahedra and corners with four equivalent SnO5 trigonal bipyramids. There are a spread of Sn–O bond distances ranging from 2.04–2.56 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two Sn3+ atoms. In the second O2- site, O2- is bonded to two equivalent Zn2+ and two equivalent Sn3+ atoms to form distorted corner-sharing OZn2Sn2 tetrahedra. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and two equivalent Sn3+ atoms. In the fourth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing OZn2Sn2 tetrahedra. In the fifth O2- site, O2- is bonded to two Zn2+ and two equivalent Sn3+ atoms to form a mixture of edge and corner-sharing OZn2Sn2 tetrahedra.