Materials Data on PrGa2Co3 by Materials Project

PrCo3Ga2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a hexagonal planar geometry to six equivalent Co and twelve equivalent Ga atoms. All Pr–Co bond lengths are 2.90 Å. All Pr–Ga bond lengths are 3.48 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve Co and six equivalent Ga atoms. There are six shorter (3.07 Å) and six longer (3.27 Å) Pr–Co bond lengths. All Pr–Ga bond lengths are 3.13 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Pr, four equivalent Co, and four equivalent Ga atoms to form a mixture of face and corner-sharing CoPr4Ga4Co4 cuboctahedra. All Co–Co bond lengths are 2.53 Å. All Co–Ga bond lengths are 2.54 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to three Pr, two equivalent Co, and four equivalent Ga atoms. All Co–Ga bond lengths are 2.43 Å. Ga is bonded in a 12-coordinate geometry to four Pr, six Co, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.91 Å.