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DOE OSTI2020

Materials Data on OsCl4 by Materials Project

OsCl4 crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two OsCl4 ribbons oriented in the (0, 0, 1) direction. Os4+ is bonded to six Cl1- atoms to form edge-sharing OsCl6 octahedra. There are two shorter (2.27 Å) and four longer (2.40 Å) Os–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Os4+ atom. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Os4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Os3Cl by Materials Project

OsOs2Cl is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional and consists of two osmium molecules and one Os2Cl framework. In the Os2Cl framework, Os+0.33+ is bonded to four equivalent Cl1- atoms to form a mixture of edge and corner-sharing OsCl4 tetrahedra. All Os–Cl bond lengths are 2.69 Å. Cl1- is bonded in a body-centered cubic geometry to eight equivalent Os+0.33+ atoms.

36 MATERIALS SCIENCE↗