Materials Data on Na2SeO5 by Materials Project

Abstract

Na2SeO5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are two shorter (2.10 Å) and four longer (2.61 Å) Na–O bond lengths. In the second Na site, Na is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Na–O bond lengths are 2.36 Å. Se is bonded in a distorted square pyramidal geometry to five O atoms. There is one shorter (1.67 Å) and four longer (2.13 Å) Se–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Na and one Se atom. In the second O site, O is bonded in a 4-coordinate geometry to two Na, one Se, and one O atom. The O–O bond length is 1.47 Å.