Materials Data on MgWF4 by Materials Project

Abstract

MgWF4 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one MgWF4 sheet oriented in the (0, 2, -1) direction. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. In the second Mg2+ site, Mg2+ is bonded in a 4-coordinate geometry to four F1- atoms. There is three shorter (1.94 Å) and one longer (1.95 Å) Mg–F bond length. There are two inequivalent W2+ sites. In the first W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are two shorter (2.15 Å) and two longer (2.16 Å) W–F bond lengths. In the second W2+ site, W2+ is bonded in a square co-planar geometry to four F1- atoms. There are one shorter (2.15 Å) and three longer (2.16 Å) W–F bond lengths. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the fourth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the fifth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the sixth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the seventh F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom. In the eighth F1- site, F1- is bonded in a 2-coordinate geometry to one Mg2+ and one W2+ atom.