La2Mn3FeSi4 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with eight equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with four equivalent Mn(1)La4Si4 tetrahedra, and faces with four equivalent Mn(3)La4Si4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent La(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnLa4Fe4Si4 tetrahedra that share corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, corners with four equivalent Mn(1)La4Si4 tetrahedra, corners with eight equivalent Mn(3)La4Si4 tetrahedra, edges with two equivalent Mn(1)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with eight equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)La4Mn4Si4 cuboctahedra, edges with four equivalent Mn(3)La4Si4 tetrahedra, and faces with four equivalent Mn(1)La4Si4 tetrahedra. Fe(1) is bonded to four equivalent La(1), four equivalent Mn(2), and four equivalent Si(1) atoms to form distorted FeLa4Mn4Si4 cuboctahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(3)La4Si4 tetrahedra, corners with eight equivalent Mn(1)La4Si4 tetrahedra, edges with two equivalent Mn(3)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(2), two equivalent Fe(1), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(1), two equivalent Mn(3), and one Si(1) atom.
La2Mn3FeSi4 crystallizes in the tetragonal P-4m2 space group. La(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Si(1), and four equivalent Si(2) atoms. Both La(1)-Mn(1) bond lengths are 3.33 Å. Both La(1)-Mn(2) bond lengths are 3.30 Å. Both La(1)-Mn(3) bond lengths are 3.33 Å. Both La(1)-Fe(1) bond lengths are 3.30 Å. All La(1)-Si(1) bond lengths are 3.16 Å. All La(1)-Si(2) bond lengths are 3.15 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with eight equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with four equivalent Mn(1)La4Si4 tetrahedra, and faces with four equivalent Mn(3)La4Si4 tetrahedra. All Mn(1)-Si(2) bond lengths are 2.39 Å. In the second Mn site, Mn(2) is bonded to four equivalent La(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form distorted MnLa4Fe4Si4 tetrahedra that share corners with four equivalent Mn(2)La4Fe4Si4 tetrahedra, corners with four equivalent Mn(1)La4Si4 tetrahedra, corners with eight equivalent Mn(3)La4Si4 tetrahedra, edges with two equivalent Mn(1)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. All Mn(2)-Fe(1) bond lengths are 2.84 Å. All Mn(2)-Si(1) bond lengths are 2.36 Å. In the third Mn site, Mn(3) is bonded to four equivalent La(1) and four equivalent Si(2) atoms to form MnLa4Si4 tetrahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with eight equivalent Mn(2)La4Fe4Si4 tetrahedra, edges with two equivalent Fe(1)La4Mn4Si4 cuboctahedra, edges with four equivalent Mn(3)La4Si4 tetrahedra, and faces with four equivalent Mn(1)La4Si4 tetrahedra. All Mn(3)-Si(2) bond lengths are 2.39 Å. Fe(1) is bonded to four equivalent La(1), four equivalent Mn(2), and four equivalent Si(1) atoms to form distorted FeLa4Mn4Si4 cuboctahedra that share corners with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, corners with four equivalent Mn(3)La4Si4 tetrahedra, corners with eight equivalent Mn(1)La4Si4 tetrahedra, edges with two equivalent Mn(3)La4Si4 tetrahedra, faces with four equivalent Fe(1)La4Mn4Si4 cuboctahedra, and faces with four equivalent Mn(2)La4Fe4Si4 tetrahedra. All Fe(1)-Si(1) bond lengths are 2.36 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(2), two equivalent Fe(1), and one Si(2) atom. The Si(1)-Si(2) bond length is 2.74 Å. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent La(1), two equivalent Mn(1), two equivalent Mn(3), and one Si(1) atom.