Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Fe(4), three equivalent Fe(1), four equivalent Fe(2), and three equivalent Ge(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(4), four equivalent Fe(3), three equivalent Ge(1), and three equivalent Si(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Ge(2), and three equivalent Ge(1) atoms. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Ge(1), and three equivalent Ge(2) atoms. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. In the fourth Fe site, Fe(4) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. In the fifth Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. In the sixth Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(1), three equivalent Mn(2), one Fe(2), one Fe(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Ge site, Ge(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(2), two equivalent Fe(4), and six equivalent Fe(3) atoms.
Mn4Fe8Ge3Si is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Fe(4), three equivalent Fe(1), four equivalent Fe(2), and three equivalent Ge(1) atoms. The Mn(1)-Fe(4) bond length is 2.51 Å. All Mn(1)-Fe(1) bond lengths are 2.46 Å. All Mn(1)-Fe(2) bond lengths are 2.48 Å. All Mn(1)-Ge(1) bond lengths are 2.84 Å. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(4), four equivalent Fe(3), three equivalent Ge(1), and three equivalent Si(1) atoms. The Mn(2)-Fe(1) bond length is 2.47 Å. All Mn(2)-Fe(4) bond lengths are 2.45 Å. There is one shorter (2.40 Å) and three longer (2.48 Å) Mn(2)-Fe(3) bond lengths. All Mn(2)-Ge(1) bond lengths are 2.84 Å. All Mn(2)-Si(1) bond lengths are 2.84 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Ge(2), and three equivalent Ge(1) atoms. The Fe(1)-Ge(2) bond length is 2.47 Å. All Fe(1)-Ge(1) bond lengths are 2.46 Å. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Ge(1), and three equivalent Ge(2) atoms. The Fe(2)-Ge(1) bond length is 2.49 Å. All Fe(2)-Ge(2) bond lengths are 2.46 Å. In the third Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. The Fe(3)-Ge(1) bond length is 2.50 Å. All Fe(3)-Si(1) bond lengths are 2.44 Å. In the fourth Fe site, Fe(4) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. All Fe(4)-Ge(1) bond lengths are 2.48 Å. The Fe(4)-Si(1) bond length is 2.40 Å. In the fifth Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. There is one shorter (2.40 Å) and three longer (2.48 Å) Fe(3)-Mn(2) bond lengths. The Fe(3)-Ge(1) bond length is 2.50 Å. All Fe(3)-Si(1) bond lengths are 2.44 Å. In the sixth Fe site, Fe(3) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. There is one shorter (2.40 Å) and three longer (2.48 Å) Fe(3)-Mn(2) bond lengths. The Fe(3)-Ge(1) bond length is 2.50 Å. All Fe(3)-Si(1) bond lengths are 2.44 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(1), three equivalent Mn(2), one Fe(2), one Fe(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Ge site, Ge(2) is bonded in a distorted body-centered cubic geometry to two equivalent Fe(1) and six equivalent Fe(2) atoms. Si(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(2), two equivalent Fe(4), and six equivalent Fe(3) atoms.