Materials Data on Mn2P12W by Materials Project
WMn2P12 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight P+0.83- atoms. There are a spread of W–P bond distances ranging from 2.49–2.64 Å. Mn2+ is bonded to six P+0.83- atoms to form MnP6 octahedra that share corners with four equivalent PP3W tetrahedra and an edgeedge with one MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.20–2.30 Å. There are six inequivalent P+0.83- sites. In the first P+0.83- site, P+0.83- is bonded in a 1-coordinate geometry to one W6+, one Mn2+, and two P+0.83- atoms. There are one shorter (2.21 Å) and one longer (2.23 Å) P–P bond lengths. In the second P+0.83- site, P+0.83- is bonded in a 1-coordinate geometry to one W6+, one Mn2+, and two P+0.83- atoms. There are one shorter (2.29 Å) and one longer (2.31 Å) P–P bond lengths. In the third P+0.83- site, P+0.83- is bonded in a distorted single-bond geometry to one W6+, one Mn2+, and two P+0.83- atoms. There are one shorter (2.24 Å) and one longer (2.31 Å) P–P bond lengths. In the fourth P+0.83- site, P+0.83- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.83- atoms. The P–P bond length is 2.21 Å. In the fifth P+0.83- site, P+0.83- is bonded to one W6+ and three P+0.83- atoms to form distorted PP3W tetrahedra that share corners with four equivalent MnP6 octahedra and a cornercorner with one PP3W tetrahedra. The corner-sharing octahedra tilt angles range from 54–74°. In the sixth P+0.83- site, P+0.83- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.83- atoms. The P–P bond length is 2.20 Å.