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Materials Data on PrRu2 by Materials Project

PrRu2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pr is bonded in a 12-coordinate geometry to twelve equivalent Ru atoms. All Pr–Ru bond lengths are 3.20 Å. Ru is bonded to six equivalent Pr and six equivalent Ru atoms to form a mixture of face, edge, and corner-sharing RuPr6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.73 Å.

36 MATERIALS SCIENCE↗

Materials Data on Pr7Ru3 by Materials Project

Pr7Ru3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Pr sites. In the first Pr site, Pr is bonded to four Ru atoms to form a mixture of distorted edge and corner-sharing PrRu4 tetrahedra. There are a spread of Pr–Ru bond distances ranging from 3.00–3.08 Å. In the second Pr site, Pr is bonded in a 3-coordinate geometry to three equivalent Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.92–3.16 Å. In the third Pr site, Pr is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.84 Å) and one longer (2.88 Å) Pr–Ru bond lengths. In the fourth Pr site, Pr is bonded in a 2-coordinate geometry to three Ru atoms. There are a spread of Pr–Ru bond distances ranging from 2.84–3.43 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 7-coordinate geometry to seven Pr atoms. In the second Ru site, Ru is bonded in a 6-coordinate geometry to eight Pr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr3Ru by Materials Project

Pr3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 2-coordinate geometry to two equivalent Ru atoms. There are one shorter (2.92 Å) and one longer (2.98 Å) Pr–Ru bond lengths. In the second Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.87 Å) and one longer (2.90 Å) Pr–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six Pr atoms.

36 MATERIALS SCIENCE↗