Materials Data on Zn3(Se2O7)2 by Materials Project
Zn3(Se2O7)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Zn–O bond distances ranging from 1.98–2.28 Å. In the second Zn2+ site, Zn2+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.26 Å. There are two inequivalent Se+5.50+ sites. In the first Se+5.50+ site, Se+5.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.73–1.75 Å. In the second Se+5.50+ site, Se+5.50+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.72–1.77 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Se+5.50+ and two equivalent O2- atoms. There are one shorter (2.13 Å) and one longer (2.17 Å) O–O bond lengths. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Zn2+ and one Se+5.50+ atom. In the third O2- site, O2- is bonded in a trigonal non-coplanar geometry to two Zn2+ and one Se+5.50+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+, one Se+5.50+, and one O2- atom. The O–O bond length is 2.29 Å. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to two Zn2+ and one Se+5.50+ atom. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Zn2+, one Se+5.50+, and one O2- atom. The O–O bond length is 2.27 Å. In the seventh O2- site, O2- is bonded in a 4-coordinate geometry to four O2- atoms.