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Materials Data on RuCl3 by Materials Project

RuCl3 crystallizes in the hexagonal P6_3/mcm space group. The structure is one-dimensional and consists of one RuCl3 ribbon oriented in the (0, 0, 1) direction. Ru3+ is bonded to six equivalent Cl1- atoms to form face-sharing RuCl6 octahedra. All Ru–Cl bond lengths are 2.37 Å. Cl1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on RuCl3 by Materials Project

RuCl3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two RuCl3 ribbons oriented in the (1, 0, 0) direction. Ru3+ is bonded to six Cl1- atoms to form face-sharing RuCl6 octahedra. All Ru–Cl bond lengths are 2.37 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Ru3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on RuCl3 by Materials Project

RuCl3 is Chromium trichloride structured and crystallizes in the trigonal P3_112 space group. The structure is two-dimensional and consists of three RuCl3 sheets oriented in the (0, 0, 1) direction. Ru3+ is bonded to six Cl1- atoms to form edge-sharing RuCl6 octahedra. All Ru–Cl bond lengths are 2.38 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ru3+ atoms. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to two equivalent Ru3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Ru3Cl by Materials Project

Ru3Cl is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ru sites. In the first Ru site, Ru is bonded to four equivalent Ru and four equivalent Cl atoms to form distorted RuRu4Cl4 tetrahedra that share corners with eight equivalent RuRu8Cl4 cuboctahedra, corners with eight equivalent ClRu12 cuboctahedra, corners with eight equivalent RuRu4Cl4 tetrahedra, edges with four equivalent RuRu8Cl4 cuboctahedra, edges with four equivalent ClRu12 cuboctahedra, edges with twelve equivalent RuRu4Cl4 tetrahedra, and faces with six equivalent RuRu4Cl4 tetrahedra. All Ru–Ru bond lengths are 2.68 Å. All Ru–Cl bond lengths are 2.68 Å. In the second Ru site, Ru is bonded to eight equivalent Ru and four equivalent Cl atoms to form RuRu8Cl4 cuboctahedra that share corners with four equivalent RuRu8Cl4 cuboctahedra, corners with eight equivalent ClRu12 cuboctahedra, corners with sixteen equivalent RuRu4Cl4 tetrahedra, edges with eight equivalent RuRu8Cl4 cuboctahedra, edges with eight equivalent RuRu4Cl4 tetrahedra, faces with four equivalent RuRu8Cl4 cuboctahedra, and faces with six equivalent ClRu12 cuboctahedra. All Ru–Cl bond lengths are 2.97 Å. Cl is bonded to twelve Ru atoms to form distorted ClRu12 cuboctahedra that share corners with four equivalent ClRu12 cuboctahedra, corners with eight equivalent RuRu8Cl4 cuboctahedra, corners with sixteen equivalent RuRu4Cl4 tetrahedra, edges with eight equivalent ClRu12 cuboctahedra, edges with eight equivalent RuRu4Cl4 tetrahedra, faces with four equivalent ClRu12 cuboctahedra, and faces with six equivalent RuRu8Cl4 cuboctahedra.

36 MATERIALS SCIENCE↗