Materials Data on AsSe(ClF2)3 by Materials Project

AsSe(ClF2)3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two AsSe(ClF2)3 ribbons oriented in the (0, 1, 0) direction. As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.76–1.80 Å. Se4+ is bonded in a distorted trigonal non-coplanar geometry to three Cl1- atoms. There are two shorter (2.14 Å) and one longer (2.15 Å) Se–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Se4+ and one F1- atom. The Cl–F bond length is 2.94 Å. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Se4+ atom. In the third Cl1- site, Cl1- is bonded in a 1-coordinate geometry to one Se4+ and one F1- atom. The Cl–F bond length is 2.96 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Cl1- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one As5+ and one Cl1- atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.