Materials Data on OsW2 by Materials Project

Abstract

W2Os is beta Uranium-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent W sites. In the first W site, W is bonded in a 9-coordinate geometry to nine W and six Os atoms. There are a spread of W–W bond distances ranging from 2.66–3.22 Å. There are two shorter (2.88 Å) and four longer (2.97 Å) W–Os bond lengths. In the second W site, W is bonded in a 6-coordinate geometry to two W and four equivalent Os atoms. The W–W bond length is 2.65 Å. There are three shorter (2.72 Å) and one longer (2.74 Å) W–Os bond lengths. In the third W site, W is bonded in a 7-coordinate geometry to five W and five Os atoms. Both W–W bond lengths are 2.50 Å. There are a spread of W–Os bond distances ranging from 2.78–2.84 Å. There are two inequivalent Os sites. In the first Os site, Os is bonded to eight W and four equivalent Os atoms to form OsOs4W8 cuboctahedra that share corners with sixteen equivalent OsOs2W10 cuboctahedra, edges with two equivalent OsOs4W8 cuboctahedra, and faces with four equivalent OsOs2W10 cuboctahedra. All Os–Os bond lengths are 2.65 Å. In the second Os site, Os is bonded to ten W and two Os atoms to form OsOs2W10 cuboctahedra that share corners with eleven OsOs4W8 cuboctahedra, edges with three equivalent OsOs2W10 cuboctahedra, and faces with seven OsOs4W8 cuboctahedra. The Os–Os bond length is 2.68 Å.