Materials Data on Sm2(MnBi2)3 by Materials Project
Sm2(MnBi2)3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 8-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.28–3.67 Å. In the second Sm site, Sm is bonded in a 9-coordinate geometry to nine Bi atoms. There are a spread of Sm–Bi bond distances ranging from 3.30–3.59 Å. There are three inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to four Mn and five Bi atoms. There are two shorter (2.77 Å) and two longer (2.83 Å) Mn–Mn bond lengths. There are a spread of Mn–Bi bond distances ranging from 2.79–3.11 Å. In the second Mn site, Mn is bonded in a 4-coordinate geometry to three Mn and four Bi atoms. The Mn–Mn bond length is 2.77 Å. There are a spread of Mn–Bi bond distances ranging from 2.81–2.89 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to three Mn and six Bi atoms. There are a spread of Mn–Bi bond distances ranging from 2.97–3.14 Å. There are six inequivalent Bi sites. In the first Bi site, Bi is bonded in a 7-coordinate geometry to three equivalent Sm and four Mn atoms. In the second Bi site, Bi is bonded in a 8-coordinate geometry to four Sm and two equivalent Bi atoms. Both Bi–Bi bond lengths are 3.42 Å. In the third Bi site, Bi is bonded in a 4-coordinate geometry to one Sm and four Mn atoms. In the fourth Bi site, Bi is bonded in a 8-coordinate geometry to three Sm, three Mn, and two equivalent Bi atoms. In the fifth Bi site, Bi is bonded in a 1-coordinate geometry to three equivalent Sm and one Mn atom. In the sixth Bi site, Bi is bonded in a 7-coordinate geometry to four Sm and three Mn atoms.