Materials Data on Sm2Co7B3 by Materials Project

Abstract

Sm2Co7B3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are three inequivalent Sm sites. In the first Sm site, Sm is bonded in a 6-coordinate geometry to two equivalent Sm and six equivalent Co atoms. Both Sm–Sm bond lengths are 3.30 Å. All Sm–Co bond lengths are 2.93 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to two equivalent Sm, twelve equivalent Co, and six equivalent B atoms. Both Sm–Sm bond lengths are 3.03 Å. All Sm–Co bond lengths are 2.92 Å. All Sm–B bond lengths are 2.93 Å. In the third Sm site, Sm is bonded in a 6-coordinate geometry to two Sm, twelve Co, and six equivalent B atoms. There are six shorter (2.86 Å) and six longer (2.98 Å) Sm–Co bond lengths. All Sm–B bond lengths are 2.93 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Sm and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Sm, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a distorted rectangular see-saw-like geometry to four Sm and four B atoms. There are two shorter (2.07 Å) and two longer (2.08 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent Sm and six Co atoms.