Materials Data on La10Os2I15 by Materials Project
La10Os2I15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are five inequivalent La sites. In the first La site, La is bonded to two equivalent Os and four I atoms to form a mixture of corner and edge-sharing LaOs2I4 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. There are one shorter (2.86 Å) and one longer (3.05 Å) La–Os bond lengths. There are a spread of La–I bond distances ranging from 3.37–3.49 Å. In the second La site, La is bonded to one Os and five I atoms to form a mixture of corner and edge-sharing LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 6–10°. The La–Os bond length is 2.86 Å. There are a spread of La–I bond distances ranging from 3.23–3.53 Å. In the third La site, La is bonded to one Os and five I atoms to form LaOsI5 octahedra that share corners with three LaOsI5 octahedra and edges with six LaOs2I4 octahedra. The corner-sharing octahedra tilt angles range from 3–8°. The La–Os bond length is 2.90 Å. There are a spread of La–I bond distances ranging from 3.23–3.50 Å. In the fourth La site, La is bonded to one Os and five I atoms to form distorted LaOsI5 octahedra that share corners with five LaOs2I4 octahedra and edges with six LaOsI5 octahedra. The corner-sharing octahedra tilt angles range from 0–10°. The La–Os bond length is 2.72 Å. There are a spread of La–I bond distances ranging from 3.27–3.52 Å. In the fifth La site, La is bonded to one Os and five I atoms to form LaOsI5 octahedra that share a cornercorner with one LaOsI5 octahedra and edges with eight LaOs2I4 octahedra. The corner-sharing octahedral tilt angles are 3°. The La–Os bond length is 2.90 Å. There are a spread of La–I bond distances ranging from 3.22–3.47 Å. Os is bonded to six La atoms to form edge-sharing OsLa6 octahedra. There are eight inequivalent I sites. In the first I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the second I site, I is bonded in a 3-coordinate geometry to three La atoms. In the third I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the fourth I site, I is bonded in a T-shaped geometry to three La atoms. In the fifth I site, I is bonded in a distorted rectangular see-saw-like geometry to four La atoms. In the sixth I site, I is bonded in a distorted T-shaped geometry to three La atoms. In the seventh I site, I is bonded in a 3-coordinate geometry to three La atoms. In the eighth I site, I is bonded in a distorted square co-planar geometry to four La atoms.