Al13Fe4 crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Al(1), one Al(3), one Al(9), two equivalent Al(12), two equivalent Al(13), two equivalent Al(14), and two equivalent Al(4) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to one Al(3), one Al(6), one Al(7), one Al(8), two equivalent Al(12), two equivalent Al(13), and two equivalent Al(14) atoms. In the third Fe site, Fe(3) is bonded in a 10-coordinate geometry to one Al(5), one Al(9), two equivalent Al(1), two equivalent Al(10), two equivalent Al(11), and two equivalent Al(15) atoms. In the fourth Fe site, Fe(4) is bonded in a 10-coordinate geometry to one Al(5), one Al(8), two equivalent Al(10), two equivalent Al(11), two equivalent Al(15), and two equivalent Al(6) atoms. In the fifth Fe site, Fe(5) is bonded in a 9-coordinate geometry to one Al(10), one Al(11), one Al(12), one Al(13), one Al(14), one Al(2), one Al(4), one Al(8), and one Al(9) atom. There are fifteen inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), one Al(9), two equivalent Al(10), two equivalent Al(12), and two equivalent Al(15) atoms. In the second Al site, Al(2) is bonded in a linear geometry to two equivalent Fe(5) and two equivalent Al(11) atoms. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), one Al(4), and one Al(8) atom. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Fe(5), one Al(3), one Al(4), one Al(9), two equivalent Al(13), and two equivalent Al(14) atoms. In the fifth Al site, Al(5) is bonded in a 2-coordinate geometry to one Fe(3), one Fe(4), one Al(8), one Al(9), and four equivalent Al(11) atoms. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to one Fe(2), two equivalent Fe(4), one Al(8), two equivalent Al(11), two equivalent Al(13), and two equivalent Al(15) atoms. In the seventh Al site, Al(7) is bonded in a distorted linear geometry to two equivalent Fe(2) atoms. In the eighth Al site, Al(8) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(4), two equivalent Fe(5), one Al(3), one Al(5), one Al(6), two equivalent Al(10), and two equivalent Al(12) atoms. In the ninth Al site, Al(9) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), two equivalent Fe(5), one Al(1), one Al(4), one Al(5), two equivalent Al(11), and two equivalent Al(13) atoms. In the tenth Al site, Al(10) is bonded in a 2-coordinate geometry to one Fe(3), one Fe(4), one Fe(5), one Al(1), one Al(8), and two equivalent Al(11) atoms. In the eleventh Al site, Al(11) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(5), one Al(13), one Al(15), one Al(2), one Al(6), one Al(9), two equivalent Al(10), and two equivalent Al(5) atoms. In the twelfth Al site, Al(12) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(5), one Al(1), and one Al(8) atom. In the thirteenth Al site, Al(13) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(5), one Al(11), one Al(4), one Al(6), and one Al(9) atom. In the fourteenth Al site, Al(14) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(2), one Fe(5), and one Al(4) atom. In the fifteenth Al site, Al(15) is bonded in a 4-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Al(1), two equivalent Al(11), and two equivalent Al(6) atoms.
Al13Fe4 crystallizes in the monoclinic C2/m space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 11-coordinate geometry to one Al(1), one Al(3), one Al(9), two equivalent Al(12), two equivalent Al(13), two equivalent Al(14), and two equivalent Al(4) atoms. The Fe(1)-Al(1) bond length is 2.49 Å. The Fe(1)-Al(3) bond length is 2.52 Å. The Fe(1)-Al(9) bond length is 2.79 Å. Both Fe(1)-Al(12) bond lengths are 2.44 Å. Both Fe(1)-Al(13) bond lengths are 2.52 Å. Both Fe(1)-Al(14) bond lengths are 2.80 Å. There is one shorter (2.49 Å) and one longer (2.61 Å) Fe(1)-Al(4) bond length. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to one Al(3), one Al(6), one Al(7), one Al(8), two equivalent Al(12), two equivalent Al(13), and two equivalent Al(14) atoms. The Fe(2)-Al(3) bond length is 2.42 Å. The Fe(2)-Al(6) bond length is 2.44 Å. The Fe(2)-Al(7) bond length is 2.44 Å. The Fe(2)-Al(8) bond length is 2.67 Å. Both Fe(2)-Al(12) bond lengths are 2.67 Å. Both Fe(2)-Al(13) bond lengths are 2.42 Å. Both Fe(2)-Al(14) bond lengths are 2.44 Å. In the third Fe site, Fe(3) is bonded in a 10-coordinate geometry to one Al(5), one Al(9), two equivalent Al(1), two equivalent Al(10), two equivalent Al(11), and two equivalent Al(15) atoms. The Fe(3)-Al(5) bond length is 2.43 Å. The Fe(3)-Al(9) bond length is 2.45 Å. There is one shorter (2.43 Å) and one longer (2.61 Å) Fe(3)-Al(1) bond length. Both Fe(3)-Al(10) bond lengths are 2.46 Å. Both Fe(3)-Al(11) bond lengths are 2.74 Å. Both Fe(3)-Al(15) bond lengths are 2.46 Å. In the fourth Fe site, Fe(4) is bonded in a 10-coordinate geometry to one Al(5), one Al(8), two equivalent Al(10), two equivalent Al(11), two equivalent Al(15), and two equivalent Al(6) atoms. The Fe(4)-Al(5) bond length is 2.41 Å. The Fe(4)-Al(8) bond length is 2.60 Å. Both Fe(4)-Al(10) bond lengths are 2.71 Å. Both Fe(4)-Al(11) bond lengths are 2.45 Å. Both Fe(4)-Al(15) bond lengths are 2.47 Å. There is one shorter (2.43 Å) and one longer (2.53 Å) Fe(4)-Al(6) bond length. In the fifth Fe site, Fe(5) is bonded in a 9-coordinate geometry to one Al(10), one Al(11), one Al(12), one Al(13), one Al(14), one Al(2), one Al(4), one Al(8), and one Al(9) atom. The Fe(5)-Al(10) bond length is 2.49 Å. The Fe(5)-Al(11) bond length is 2.48 Å. The Fe(5)-Al(12) bond length is 2.55 Å. The Fe(5)-Al(13) bond length is 2.58 Å. The Fe(5)-Al(14) bond length is 2.43 Å. The Fe(5)-Al(2) bond length is 2.35 Å. The Fe(5)-Al(4) bond length is 2.59 Å. The Fe(5)-Al(8) bond length is 2.45 Å. The Fe(5)-Al(9) bond length is 2.48 Å. There are fifteen inequivalent Al sites. In the first Al site, Al(1) is bonded in a 10-coordinate geometry to one Fe(1), two equivalent Fe(3), one Al(9), two equivalent Al(10), two equivalent Al(12), and two equivalent Al(15) atoms. The Al(1)-Al(9) bond length is 2.51 Å. Both Al(1)-Al(10) bond lengths are 2.79 Å. Both Al(1)-Al(12) bond lengths are 2.81 Å. Both Al(1)-Al(15) bond lengths are 2.87 Å. In the second Al site, Al(2) is bonded in a linear geometry to two equivalent Fe(5) and two equivalent Al(11) atoms. Both Al(2)-Al(11) bond lengths are 2.94 Å. In the third Al site, Al(3) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(2), one Al(4), and one Al(8) atom. The Al(3)-Al(4) bond length is 2.70 Å. The Al(3)-Al(8) bond length is 2.75 Å. In the fourth Al site, Al(4) is bonded in a 11-coordinate geometry to two equivalent Fe(1), two equivalent Fe(5), one Al(3), one Al(4), one Al(9), two equivalent Al(13), and two equivalent Al(14) atoms. The Al(4)-Al(4) bond length is 2.50 Å. The Al(4)-Al(9) bond length is 2.50 Å. Both Al(4)-Al(13) bond lengths are 2.73 Å. Both Al(4)-Al(14) bond lengths are 2.63 Å. In the fifth Al site, Al(5) is bonded in a 2-coordinate geometry to one Fe(3), one Fe(4), one Al(8), one Al(9), and four equivalent Al(11) atoms. The Al(5)-Al(8) bond length is 2.75 Å. The Al(5)-Al(9) bond length is 2.64 Å. There are two shorter (2.80 Å) and two longer (2.84 Å) Al(5)-Al(11) bond lengths. In the sixth Al site, Al(6) is bonded in a 10-coordinate geometry to one Fe(2), two equivalent Fe(4), one Al(8), two equivalent Al(11), two equivalent Al(13), and two equivalent Al(15) atoms. The Al(6)-Al(8) bond length is 2.53 Å. Both Al(6)-Al(11) bond lengths are 2.80 Å. Both Al(6)-Al(13) bond lengths are 2.84 Å. Both Al(6)-Al(15) bond lengths are 2.85 Å. In the seventh Al site, Al(7) is bonded in a distorted linear geometry to two equivalent Fe(2) atoms. In the eighth Al site, Al(8) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(4), two equivalent Fe(5), one Al(3), one Al(5), one Al(6), two equivalent Al(10), and two equivalent Al(12) atoms. Both Al(8)-Al(10) bond lengths are 2.66 Å. Both Al(8)-Al(12) bond lengths are 2.64 Å. In the ninth Al site, Al(9) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(3), two equivalent Fe(5), one Al(1), one Al(4), one Al(5), two equivalent Al(11), and two equivalent Al(13) atoms. Both Al(9)-Al(11) bond lengths are 2.61 Å. Both Al(9)-Al(13) bond lengths are 2.64 Å. In the tenth Al site, Al(10) is bonded in a 2-coordinate geometry to one Fe(3), one Fe(4), one Fe(5), one Al(1), one Al(8), and two equivalent Al(11) atoms. There is one shorter (2.64 Å) and one longer (2.81 Å) Al(10)-Al(11) bond length. In the eleventh Al site, Al(11) is bonded in a 12-coordinate geometry to one Fe(3), one Fe(4), one Fe(5), one Al(13), one Al(15), one Al(2), one Al(6), one Al(9), two equivalent Al(10), and two equivalent Al(5) atoms. The Al(11)-Al(13) bond length is 2.82 Å. The Al(11)-Al(15) bond length is 2.76 Å. In the twelfth Al site, Al(12) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(5), one Al(1), and one Al(8) atom. In the thirteenth Al site, Al(13) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(2), one Fe(5), one Al(11), one Al(4), one Al(6), and one Al(9) atom. In the fourteenth Al site, Al(14) is bonded in a distorted bent 150 degrees geometry to one Fe(1), one Fe(2), one Fe(5), and one Al(4) atom. In the fifteenth Al site, Al(15) is bonded in a 4-coordinate geometry to two equivalent Fe(3), two equivalent Fe(4), two equivalent Al(1), two equivalent Al(11), and two equivalent Al(6) atoms.