Materials Data on CuSO7 by Materials Project

CuSO7 crystallizes in the monoclinic Cc space group. The structure is two-dimensional and consists of two CuSO7 sheets oriented in the (0, 1, 0) direction. Cu is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Cu–O bond distances ranging from 1.74–2.50 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.46–1.53 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Cu and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cu and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Cu atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Cu and one O atom. In the seventh O site, O is bonded in a distorted bent 150 degrees geometry to one Cu and one S atom.