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Materials Data on Ag(W3Br7)2 by Materials Project

Ag(W3Br7)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W+2.17+ is bonded to five Br1- atoms to form WBr5 square pyramids that share a cornercorner with one AgBr6 octahedra and edges with four equivalent WBr5 square pyramids. The corner-sharing octahedral tilt angles are 45°. There are a spread of W–Br bond distances ranging from 2.61–2.66 Å. Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent WBr5 square pyramids. All Ag–Br bond lengths are 2.91 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent W+2.17+ atoms. In the second Br1- site, Br1- is bonded in a distorted bent 150 degrees geometry to one W+2.17+ and one Ag1+ atom. In the third Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W+2.17+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on AgW3Br7 by Materials Project

W3AgBr7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent W2+ sites. In the first W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are four shorter (2.65 Å) and one longer (2.66 Å) W–Br bond lengths. In the second W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. In the third W2+ site, W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are three shorter (2.65 Å) and two longer (2.66 Å) W–Br bond lengths. Ag1+ is bonded in a distorted trigonal planar geometry to four Br1- atoms. There are a spread of Ag–Br bond distances ranging from 2.63–3.62 Å. There are seven inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 6-coordinate geometry to three W2+ atoms. In the second Br1- site, Br1- is bonded in a 8-coordinate geometry to three W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Ag1+ atom. In the fourth Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Ag1+ atom. In the fifth Br1- site, Br1- is bonded in a water-like geometry to one W2+ and one Ag1+ atom. In the sixth Br1- site, Br1- is bonded in a 8-coordinate geometry to three W2+ atoms. In the seventh Br1- site, Br1- is bonded in a distorted rectangular see-saw-like geometry to three W2+ and one Ag1+ atom.

36 MATERIALS SCIENCE↗