BaMg6Fe crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Fe(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Mg(2), two equivalent Mg(4), and one Fe(1) atom. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to four equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Fe(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms.
BaMg6Fe crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), four equivalent Mg(2), four equivalent Mg(3), and two equivalent Fe(1) atoms. Both Ba(1)-Mg(1) bond lengths are 3.72 Å. Both Ba(1)-Mg(4) bond lengths are 3.51 Å. All Ba(1)-Mg(2) bond lengths are 3.49 Å. All Ba(1)-Mg(3) bond lengths are 4.07 Å. Both Ba(1)-Fe(1) bond lengths are 3.43 Å. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Mg(2), two equivalent Mg(4), and one Fe(1) atom. Both Mg(1)-Mg(2) bond lengths are 3.11 Å. Both Mg(1)-Mg(4) bond lengths are 3.07 Å. The Mg(1)-Fe(1) bond length is 2.72 Å. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Ba(1), one Mg(3), one Mg(4), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Fe(1) atoms. The Mg(2)-Mg(3) bond length is 3.31 Å. The Mg(2)-Mg(4) bond length is 3.11 Å. There is one shorter (2.90 Å) and one longer (3.19 Å) Mg(2)-Mg(2) bond length. Both Mg(2)-Fe(1) bond lengths are 2.88 Å. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to four equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Fe(1) atoms. Both Mg(3)-Mg(4) bond lengths are 3.35 Å. Both Mg(3)-Fe(1) bond lengths are 3.63 Å. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Ba(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. Fe(1) is bonded in a 8-coordinate geometry to two equivalent Ba(1), two equivalent Mg(1), two equivalent Mg(3), and four equivalent Mg(2) atoms.