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DOE OSTI2020

Materials Data on OsCl2O by Materials Project

OsOCl2 crystallizes in the orthorhombic Immm space group. The structure is two-dimensional and consists of two OsOCl2 sheets oriented in the (0, 0, 1) direction. Os4+ is bonded to two equivalent O2- and four equivalent Cl1- atoms to form a mixture of edge and corner-sharing OsCl4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Os–O bond lengths are 1.86 Å. All Os–Cl bond lengths are 2.41 Å. O2- is bonded in a linear geometry to two equivalent Os4+ atoms. Cl1- is bonded in a water-like geometry to two equivalent Os4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on OsCl4O by Materials Project

OsOCl4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four OsOCl4 clusters. Os6+ is bonded in a 1-coordinate geometry to one O2- and four Cl1- atoms. The Os–O bond length is 1.68 Å. There are three shorter (2.27 Å) and one longer (2.28 Å) Os–Cl bond lengths. O2- is bonded in a single-bond geometry to one Os6+ atom. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Os6+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Os6+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Os6+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Os6+ atom.

36 MATERIALS SCIENCE↗