Materials Data on Li2SeO7 by Materials Project
Li2SeO7 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Li–O bond distances ranging from 2.05–2.21 Å. Se is bonded in a distorted water-like geometry to four O atoms. There are two shorter (1.67 Å) and two longer (2.38 Å) Se–O bond lengths. There are four inequivalent O sites. In the first O site, O is bonded in an L-shaped geometry to one Li and one Se atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent Li, one Se, and one O atom. The O–O bond length is 1.47 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Li and one O atom. The O–O bond length is 1.24 Å. In the fourth O site, O is bonded in a 4-coordinate geometry to two equivalent Li and two equivalent O atoms.