Materials Data on Mg2ClO7 by Materials Project
Mg2O7Cl crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one Mg2O7Cl ribbon oriented in the (0, 0, 1) direction. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six O atoms to form MgO6 octahedra that share a cornercorner with one OMg3O trigonal pyramid and an edgeedge with one MgO6 octahedra. There are a spread of Mg–O bond distances ranging from 2.00–2.41 Å. In the second Mg site, Mg is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mg–O bond distances ranging from 2.00–2.23 Å. There are seven inequivalent O sites. In the first O site, O is bonded to three Mg and one O atom to form distorted OMg3O trigonal pyramids that share a cornercorner with one MgO6 octahedra and an edgeedge with one OMg3O trigonal pyramid. The corner-sharing octahedral tilt angles are 109°. The O–O bond length is 1.48 Å. In the second O site, O is bonded in a 4-coordinate geometry to three Mg and one O atom. The O–O bond length is 1.56 Å. In the third O site, O is bonded in a 2-coordinate geometry to two Mg and one O atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two Mg and one O atom. In the fifth O site, O is bonded in a water-like geometry to one Mg and one Cl atom. The O–Cl bond length is 1.63 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Mg and one O atom. The O–O bond length is 1.24 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. Cl is bonded in a single-bond geometry to one O atom.