Materials Data on Nd26Ga7Co10 by Materials Project

Abstract

Nd26Co10Ga7 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are six inequivalent Nd sites. In the first Nd site, Nd is bonded in a 6-coordinate geometry to four Co and two Ga atoms. There are a spread of Nd–Co bond distances ranging from 2.92–3.56 Å. There are one shorter (3.20 Å) and one longer (3.29 Å) Nd–Ga bond lengths. In the second Nd site, Nd is bonded in a 6-coordinate geometry to two equivalent Co and four Ga atoms. Both Nd–Co bond lengths are 3.00 Å. There are a spread of Nd–Ga bond distances ranging from 3.19–3.69 Å. In the third Nd site, Nd is bonded in a 4-coordinate geometry to four Co atoms. There are two shorter (2.84 Å) and two longer (3.11 Å) Nd–Co bond lengths. In the fourth Nd site, Nd is bonded to four Ga atoms to form edge-sharing NdGa4 tetrahedra. There are two shorter (3.09 Å) and two longer (3.13 Å) Nd–Ga bond lengths. In the fifth Nd site, Nd is bonded in a 6-coordinate geometry to three Co and three Ga atoms. There are a spread of Nd–Co bond distances ranging from 2.73–3.03 Å. There are a spread of Nd–Ga bond distances ranging from 3.13–3.46 Å. In the sixth Nd site, Nd is bonded in a 6-coordinate geometry to four Co and two equivalent Ga atoms. There are two shorter (2.89 Å) and two longer (3.31 Å) Nd–Co bond lengths. Both Nd–Ga bond lengths are 3.45 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Nd and one Ga atom. The Co–Ga bond length is 2.98 Å. In the second Co site, Co is bonded in a 8-coordinate geometry to eight Nd atoms. In the third Co site, Co is bonded in a 10-coordinate geometry to eight Nd and two Co atoms. There are one shorter (2.78 Å) and one longer (2.83 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded in a 9-coordinate geometry to eight Nd and one Co atom. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Nd atoms. In the second Ga site, Ga is bonded in a 11-coordinate geometry to ten Nd and one Co atom. In the third Ga site, Ga is bonded in a 10-coordinate geometry to ten Nd atoms.