PrFe11Ti crystallizes in the orthorhombic Imm2 space group. Pr(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 Pr(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 Pr(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 a mixture of distorted edge, face, and corner-sharing FePr2TiFe9 cuboctahedra. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Pr(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 Pr(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 Pr(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 Pr(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.
PrFe11Ti crystallizes in the orthorhombic Imm2 space group. Pr(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 Pr(1)-Ti(1) bond length is 3.20 Å. The Pr(1)-Fe(5) bond length is 3.01 Å. Both Pr(1)-Fe(2) bond lengths are 3.05 Å. Both Pr(1)-Fe(3) bond lengths are 3.09 Å. Both Pr(1)-Fe(6) bond lengths are 3.10 Å. All Pr(1)-Fe(4) bond lengths are 3.07 Å. There are four shorter (3.22 Å) and four longer (3.30 Å) Pr(1)-Fe(1) bond lengths. Ti(1) is bonded in a 14-coordinate geometry to one Pr(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 2.63 Å. Both Ti(1)-Fe(4) bond lengths are 2.61 Å. All Ti(1)-Fe(1) bond lengths are 2.67 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 Pr(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 a mixture of distorted edge, face, and corner-sharing FePr2TiFe9 cuboctahedra. The Fe(1)-Fe(2) bond length is 2.45 Å. The Fe(1)-Fe(3) bond length is 2.47 Å. The Fe(1)-Fe(5) bond length is 2.61 Å. There is one shorter (2.34 Å) and one longer (2.35 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. There is one shorter (2.60 Å) and one longer (2.63 Å) Fe(1)-Fe(6) bond length. In the second Fe site, Fe(2) is bonded in a 12-coordinate geometry to two equivalent Pr(1), two equivalent Fe(4), two equivalent Fe(5), two equivalent Fe(6), and four equivalent Fe(1) atoms. Both Fe(2)-Fe(4) bond lengths are 2.82 Å. Both Fe(2)-Fe(5) bond lengths are 2.57 Å. Both Fe(2)-Fe(6) bond lengths are 2.58 Å. In the third Fe site, Fe(3) is bonded in a 12-coordinate geometry to two equivalent Pr(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 2.78 Å. Both Fe(3)-Fe(6) bond lengths are 2.62 Å. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Pr(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 2.64 Å. Both Fe(4)-Fe(6) bond lengths are 2.60 Å. In the fifth Fe site, Fe(5) is bonded in a 1-coordinate geometry to one Pr(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 2.91 Å. In the sixth Fe site, Fe(6) is bonded in a 14-coordinate geometry to one Pr(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 2.44 Å.