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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ce7Ru3 by Materials Project

Ce7Ru3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a distorted water-like geometry to four equivalent Ru atoms. There are two shorter (2.83 Å) and two longer (3.42 Å) Ce–Ru bond lengths. In the second Ce site, Ce is bonded in a 3-coordinate geometry to four equivalent Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.70–3.40 Å. In the third Ce site, Ce is bonded in a 3-coordinate geometry to three equivalent Ru atoms. All Ce–Ru bond lengths are 2.97 Å. Ru is bonded in a 6-coordinate geometry to nine Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce4Ru3 by Materials Project

Ce4Ru3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Ce sites. In the first Ce site, Ce is bonded in a 1-coordinate geometry to six Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.73–3.29 Å. In the second Ce site, Ce is bonded in a 4-coordinate geometry to four Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.73–3.08 Å. In the third Ce site, Ce is bonded in a 6-coordinate geometry to six Ru atoms. There are a spread of Ce–Ru bond distances ranging from 2.74–2.89 Å. There are two inequivalent Ru sites. In the first Ru site, Ru is bonded in a 5-coordinate geometry to seven Ce atoms. In the second Ru site, Ru is bonded in a 2-coordinate geometry to eight Ce atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CeRu2 by Materials Project

CeRu2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to twelve equivalent Ru atoms. All Ce–Ru bond lengths are 3.14 Å. Ru is bonded to six equivalent Ce and six equivalent Ru atoms to form a mixture of edge, face, and corner-sharing RuCe6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.68 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce3Ru by Materials Project

Ce3Ru is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ce3Ru sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to two equivalent Ru atoms. Both Ce–Ru bond lengths are 2.87 Å. In the second Ce site, Ce is bonded in a bent 150 degrees geometry to two equivalent Ru atoms. There are one shorter (2.60 Å) and one longer (2.82 Å) Ce–Ru bond lengths. Ru is bonded in a 6-coordinate geometry to six Ce atoms.

36 MATERIALS SCIENCE↗