SmFe11Ti crystallizes in the orthorhombic Imm2 space group. Sm(1) is bonded in a 20-coordinate geometry to one Ti(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. Ti(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), one Ti(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeSm2TiFe9 cuboctahedra that share corners with two equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Sm2TiFe9 cuboctahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(1)Sm2TiFe9 cuboctahedra, faces with two equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Sm2TiFe9 cuboctahedra. In the second Fe site, Fe(2) is bonded to two equivalent Sm(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Sm2TiFe9 cuboctahedra, edges with two equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(1)Sm2TiFe9 cuboctahedra, and faces with eight equivalent Fe(1)Sm2TiFe9 cuboctahedra. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Ti(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Ti(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the fifth Fe site, Fe(5) is bonded in a 1-coordinate geometry to one Sm(1), one Ti(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), two equivalent Ti(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms.
SmFe11Ti crystallizes in the orthorhombic Imm2 space group. Sm(1) is bonded in a 20-coordinate geometry to one Ti(1), one Fe(5), two equivalent Fe(2), two equivalent Fe(3), two equivalent Fe(6), four equivalent Fe(4), and eight equivalent Fe(1) atoms. The Sm(1)-Ti(1) bond length is 3.17 Å. The Sm(1)-Fe(5) bond length is 2.98 Å. Both Sm(1)-Fe(2) bond lengths are 3.04 Å. Both Sm(1)-Fe(3) bond lengths are 3.07 Å. Both Sm(1)-Fe(6) bond lengths are 3.06 Å. All Sm(1)-Fe(4) bond lengths are 3.05 Å. There are four shorter (3.21 Å) and four longer (3.27 Å) Sm(1)-Fe(1) bond lengths. Ti(1) is bonded in a 14-coordinate geometry to one Sm(1), one Fe(5), two equivalent Fe(3), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. The Ti(1)-Fe(5) bond length is 2.36 Å. Both Ti(1)-Fe(3) bond lengths are 2.65 Å. Both Ti(1)-Fe(4) bond lengths are 2.61 Å. All Ti(1)-Fe(1) bond lengths are 2.66 Å. All Ti(1)-Fe(6) bond lengths are 2.88 Å. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent Sm(1), one Ti(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(1), two equivalent Fe(4), and two equivalent Fe(6) atoms to form distorted FeSm2TiFe9 cuboctahedra that share corners with two equivalent Fe(2)Sm2Fe10 cuboctahedra, corners with ten equivalent Fe(1)Sm2TiFe9 cuboctahedra,  an edgeedge with one Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(1)Sm2TiFe9 cuboctahedra, faces with two equivalent Fe(2)Sm2Fe10 cuboctahedra, and faces with six equivalent Fe(1)Sm2TiFe9 cuboctahedra. The Fe(1)-Fe(2) bond length is 2.45 Å. The Fe(1)-Fe(3) bond length is 2.46 Å. The Fe(1)-Fe(5) bond length is 2.59 Å. There is one shorter (2.35 Å) and one longer (2.37 Å) Fe(1)-Fe(1) bond length. There is one shorter (2.43 Å) and one longer (2.46 Å) Fe(1)-Fe(4) bond length. Both Fe(1)-Fe(6) bond lengths are 2.60 Å. In the second Fe site, Fe(2) is bonded to two equivalent Sm(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms to form distorted FeSm2Fe10 cuboctahedra that share corners with eight equivalent Fe(1)Sm2TiFe9 cuboctahedra, edges with two equivalent Fe(2)Sm2Fe10 cuboctahedra, edges with four equivalent Fe(1)Sm2TiFe9 cuboctahedra, and faces with eight equivalent Fe(1)Sm2TiFe9 cuboctahedra. Both Fe(2)-Fe(4) bond lengths are 2.76 Å. Both Fe(2)-Fe(5) bond lengths are 2.58 Å. Both Fe(2)-Fe(6) bond lengths are 2.61 Å. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Sm(1), two equivalent Ti(1), two equivalent Fe(4), two equivalent Fe(6), and four equivalent Fe(1) atoms. Both Fe(3)-Fe(4) bond lengths are 2.72 Å. Both Fe(3)-Fe(6) bond lengths are 2.63 Å. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Sm(1), one Ti(1), one Fe(2), one Fe(3), one Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. The Fe(4)-Fe(5) bond length is 2.66 Å. Both Fe(4)-Fe(6) bond lengths are 2.61 Å. In the fifth Fe site, Fe(5) is bonded in a 1-coordinate geometry to one Sm(1), one Ti(1), two equivalent Fe(2), two equivalent Fe(4), four equivalent Fe(1), and four equivalent Fe(6) atoms. All Fe(5)-Fe(6) bond lengths are 2.94 Å. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Sm(1), two equivalent Ti(1), one Fe(2), one Fe(3), one Fe(6), two equivalent Fe(4), two equivalent Fe(5), and four equivalent Fe(1) atoms. The Fe(6)-Fe(6) bond length is 2.46 Å.