Materials Data on MgAs2(XeF8)2 by Materials Project
MgAs2(XeF8)2 crystallizes in the orthorhombic Pbam space group. The structure is one-dimensional and consists of two MgAs2(XeF8)2 ribbons oriented in the (1, 0, 0) direction. Xe is bonded in a linear geometry to two F atoms. There are one shorter (2.02 Å) and one longer (2.14 Å) Xe–F bond lengths. Mg is bonded to six F atoms to form MgF6 octahedra that share corners with four equivalent AsF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are two shorter (1.96 Å) and four longer (2.05 Å) Mg–F bond lengths. As is bonded to six F atoms to form AsF6 octahedra that share corners with two equivalent MgF6 octahedra. The corner-sharing octahedral tilt angles are 30°. There are a spread of As–F bond distances ranging from 1.75–1.83 Å. There are six inequivalent F sites. In the first F site, F is bonded in a single-bond geometry to one As atom. In the second F site, F is bonded in a bent 150 degrees geometry to one Mg and one As atom. In the third F site, F is bonded in a single-bond geometry to one Xe atom. In the fourth F site, F is bonded in a single-bond geometry to one As atom. In the fifth F site, F is bonded in a single-bond geometry to one As atom. In the sixth F site, F is bonded in a linear geometry to one Xe and one Mg atom.