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Materials Data on PrCo2 by Materials Project

PrCo2 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 Co atoms. All Pr–Co bond lengths are 3.04 Å. Co is bonded to six equivalent Pr and six equivalent Co atoms to form a mixture of edge, corner, and face-sharing CoPr6Co6 cuboctahedra. All Co–Co bond lengths are 2.59 Å.

36 MATERIALS SCIENCE↗

Materials Data on PrCo5 by Materials Project

PrCo5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.20 Å) Pr–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded to four equivalent Pr and eight Co atoms to form a mixture of edge, face, and corner-sharing CoPr4Co8 cuboctahedra. All Co–Co bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗

Materials Data on PrCo3 by Materials Project

PrCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Pr–Co bond distances ranging from 2.97–3.24 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.94 Å) and twelve longer (3.23 Å) Pr–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Pr and seven Co atoms to form CoPr5Co7 cuboctahedra that share corners with seventeen CoPr6Co6 cuboctahedra, edges with eight equivalent CoPr5Co7 cuboctahedra, and faces with fourteen CoPr5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.45–2.64 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Pr and six equivalent Co atoms to form CoPr6Co6 cuboctahedra that share corners with twelve equivalent CoPr5Co7 cuboctahedra, edges with six equivalent CoPr6Co6 cuboctahedra, and faces with eighteen equivalent CoPr5Co7 cuboctahedra.

36 MATERIALS SCIENCE↗

Materials Data on Pr3Co by Materials Project

Pr3Co is Cementite structured and crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Pr3Co sheets oriented in the (0, 0, 1) direction. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a bent 150 degrees geometry to two equivalent Co atoms. There are one shorter (2.79 Å) and one longer (2.94 Å) Pr–Co bond lengths. In the second Pr site, Pr is bonded in a distorted water-like geometry to two equivalent Co atoms. There are one shorter (2.82 Å) and one longer (2.93 Å) Pr–Co bond lengths. Co is bonded in a 6-coordinate geometry to six Pr atoms.

36 MATERIALS SCIENCE↗

Materials Data on Pr2Co17 by Materials Project

Pr2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pr is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Pr–Co bond distances ranging from 3.03–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Pr and ten Co atoms to form CoPr2Co10 cuboctahedra that share corners with fourteen CoPr2Co10 cuboctahedra, edges with six equivalent CoPr3Co9 cuboctahedra, and faces with ten CoPr2Co10 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.58 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.66 Å. In the third Co site, Co is bonded to three equivalent Pr and nine Co atoms to form a mixture of face, edge, and corner-sharing CoPr3Co9 cuboctahedra. There are two shorter (2.47 Å) and one longer (2.59 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 2-coordinate geometry to one Pr and thirteen Co atoms. The Co–Co bond length is 2.34 Å.

36 MATERIALS SCIENCE↗