Al37(Fe6Cu)2 crystallizes in the monoclinic Cm space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to one Al(22), one Al(23), one Al(26), one Al(7), two equivalent Al(14), two equivalent Al(15), and two equivalent Al(9) atoms. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to one Cu(1), one Al(22), one Al(23), one Al(8), two equivalent Al(10), two equivalent Al(13), and two equivalent Al(15) atoms. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Cu(1), one Al(18), one Al(22), one Al(24), one Al(25), two equivalent Al(11), two equivalent Al(4), and two equivalent Al(6) atoms. In the fourth Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Al(19), one Al(23), one Al(24), one Al(25), one Al(26), two equivalent Al(12), two equivalent Al(3), and two equivalent Al(5) atoms. In the fifth Fe site, Fe(5) is bonded in a 10-coordinate geometry to one Cu(2), one Al(17), one Al(19), one Al(20), two equivalent Al(11), two equivalent Al(4), and two equivalent Al(6) atoms. In the sixth Fe site, Fe(6) is bonded in a 10-coordinate geometry to one Cu(2), one Al(16), one Al(18), one Al(21), two equivalent Al(12), two equivalent Al(3), and two equivalent Al(5) atoms. In the seventh Fe site, Fe(7) is bonded in a 9-coordinate geometry to one Al(1), one Al(11), one Al(13), one Al(16), one Al(24), one Al(26), one Al(3), one Al(5), and one Al(9) atom. In the eighth Fe site, Fe(8) is bonded in a 9-coordinate geometry to one Cu(1), one Al(10), one Al(12), one Al(14), one Al(17), one Al(2), one Al(25), one Al(4), and one Al(6) atom. In the ninth Fe site, Fe(9) is bonded in a 10-coordinate geometry to one Al(16), one Al(20), one Al(21), one Al(7), two equivalent Al(10), two equivalent Al(13), and two equivalent Al(15) atoms. In the tenth Fe site, Fe(10) is bonded in a 10-coordinate geometry to one Al(17), one Al(20), one Al(21), one Al(8), two equivalent Al(14), two equivalent Al(15), and two equivalent Al(9) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(3), two equivalent Fe(8), one Al(22), one Al(25), one Al(8), two equivalent Al(10), and two equivalent Al(6) atoms. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Fe(5), one Fe(6), two equivalent Al(11), two equivalent Al(12), two equivalent Al(5), and two equivalent Al(6) atoms. There are twenty-six inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Fe(7) and two equivalent Al(13) atoms. In the second Al site, Al(2) is bonded in a linear geometry to two equivalent Fe(8) and two equivalent Al(10) atoms. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(6), one Fe(7), one Al(13), one Al(16), and one Al(23) atom. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), one Fe(8), and one Al(17) atom. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(6), one Fe(7), one Cu(2), one Al(21), one Al(24), and one Al(26) atom. In the sixth Al site, Al(6) is bonded in a 5-coordinate geometry to one Fe(3), one Fe(5), one Fe(8), one Cu(1), one Cu(2), one Al(10), one Al(20), and one Al(25) atom. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(9), one Al(16), one Al(26), two equivalent Al(10), and two equivalent Al(13) atoms. In the eighth Al site, Al(8) is bonded in a 3-coordinate geometry to one Fe(10), one Fe(2), one Cu(1), one Al(17), two equivalent Al(10), and two equivalent Al(13) atoms. In the ninth Al site, Al(9) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(10), one Fe(7), one Al(13), one Al(21), and one Al(26) atom. In the tenth Al site, Al(10) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(8), one Fe(9), one Cu(1), one Al(13), one Al(14), one Al(15), one Al(2), one Al(20), one Al(6), one Al(7), and one Al(8) atom. In the eleventh Al site, Al(11) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), one Fe(7), one Cu(2), and one Al(24) atom. In the twelfth Al site, Al(12) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(6), one Fe(8), one Cu(2), and one Al(25) atom. In the thirteenth Al site, Al(13) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(7), one Fe(9), one Al(1), one Al(10), one Al(15), one Al(16), one Al(23), one Al(3), one Al(7), one Al(8), and one Al(9) atom. In the fourteenth Al site, Al(14) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(10), one Fe(8), one Al(10), and one Al(17) atom. In the fifteenth Al site, Al(15) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(10), one Fe(2), one Fe(9), one Al(10), one Al(13), one Al(20), one Al(21), and one Al(23) atom. In the sixteenth Al site, Al(16) is bonded in a 11-coordinate geometry to one Fe(6), one Fe(9), two equivalent Fe(7), one Al(18), one Al(21), one Al(7), two equivalent Al(13), and two equivalent Al(3) atoms. In the seventeenth Al site, Al(17) is bonded in a 11-coordinate geometry to one Fe(10), one Fe(5), two equivalent Fe(8), one Al(19), one Al(20), one Al(8), two equivalent Al(14), and two equivalent Al(4) atoms. In the eighteenth Al site, Al(18) is bonded in a distorted bent 150 degrees geometry to one Fe(3), one Fe(6), one Al(16), and one Al(24) atom. In the nineteenth Al site, Al(19) is bonded in a distorted bent 150 degrees geometry to one Fe(4), one Fe(5), one Al(17), and one Al(25) atom. In the twentieth Al site, Al(20) is bonded in a 10-coordinate geometry to one Fe(10), one Fe(5), one Fe(9), one Al(17), two equivalent Al(10), two equivalent Al(15), and two equivalent Al(6) atoms. In the twenty-first Al site, Al(21) is bonded in a 10-coordinate geometry to one Fe(10), one Fe(6), one Fe(9), one Al(16), two equivalent Al(15), two equivalent Al(5), and two equivalent Al(9) atoms. In the twenty-second Al site, Al(22) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Cu(1) atom. In the twenty-third Al site, Al(23) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Al(26), two equivalent Al(13), two equivalent Al(15), and two equivalent Al(3) atoms. In the twenty-fourth Al site, Al(24) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(7), one Al(18), one Al(25), one Al(26), two equivalent Al(11), and two equivalent Al(5) atoms. In the twenty-fifth Al site, Al(25) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(8), one Cu(1), one Al(19), one Al(24), two equivalent Al(12), and two equivalent Al(6) atoms. In the twenty-sixth Al site, Al(26) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(7), one Al(23), one Al(24), one Al(7), two equivalent Al(5), and two equivalent Al(9) atoms.
Al37(Fe6Cu)2 crystallizes in the monoclinic Cm space group. There are ten inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 10-coordinate geometry to one Al(22), one Al(23), one Al(26), one Al(7), two equivalent Al(14), two equivalent Al(15), and two equivalent Al(9) atoms. The Fe(1)-Al(22) bond length is 2.47 Å. The Fe(1)-Al(23) bond length is 2.62 Å. The Fe(1)-Al(26) bond length is 2.48 Å. The Fe(1)-Al(7) bond length is 2.48 Å. Both Fe(1)-Al(14) bond lengths are 2.42 Å. Both Fe(1)-Al(15) bond lengths are 2.42 Å. Both Fe(1)-Al(9) bond lengths are 2.76 Å. In the second Fe site, Fe(2) is bonded in a 10-coordinate geometry to one Cu(1), one Al(22), one Al(23), one Al(8), two equivalent Al(10), two equivalent Al(13), and two equivalent Al(15) atoms. The Fe(2)-Cu(1) bond length is 2.56 Å. The Fe(2)-Al(22) bond length is 2.57 Å. The Fe(2)-Al(23) bond length is 2.36 Å. The Fe(2)-Al(8) bond length is 2.52 Å. Both Fe(2)-Al(10) bond lengths are 2.71 Å. Both Fe(2)-Al(13) bond lengths are 2.39 Å. Both Fe(2)-Al(15) bond lengths are 2.42 Å. In the third Fe site, Fe(3) is bonded in a 11-coordinate geometry to one Cu(1), one Al(18), one Al(22), one Al(24), one Al(25), two equivalent Al(11), two equivalent Al(4), and two equivalent Al(6) atoms. The Fe(3)-Cu(1) bond length is 2.78 Å. The Fe(3)-Al(18) bond length is 2.46 Å. The Fe(3)-Al(22) bond length is 2.53 Å. The Fe(3)-Al(24) bond length is 2.45 Å. The Fe(3)-Al(25) bond length is 2.62 Å. Both Fe(3)-Al(11) bond lengths are 2.77 Å. Both Fe(3)-Al(4) bond lengths are 2.40 Å. Both Fe(3)-Al(6) bond lengths are 2.56 Å. In the fourth Fe site, Fe(4) is bonded in a 11-coordinate geometry to one Al(19), one Al(23), one Al(24), one Al(25), one Al(26), two equivalent Al(12), two equivalent Al(3), and two equivalent Al(5) atoms. The Fe(4)-Al(19) bond length is 2.54 Å. The Fe(4)-Al(23) bond length is 2.47 Å. The Fe(4)-Al(24) bond length is 2.57 Å. The Fe(4)-Al(25) bond length is 2.58 Å. The Fe(4)-Al(26) bond length is 2.73 Å. Both Fe(4)-Al(12) bond lengths are 2.84 Å. Both Fe(4)-Al(3) bond lengths are 2.42 Å. Both Fe(4)-Al(5) bond lengths are 2.57 Å. In the fifth Fe site, Fe(5) is bonded in a 10-coordinate geometry to one Cu(2), one Al(17), one Al(19), one Al(20), two equivalent Al(11), two equivalent Al(4), and two equivalent Al(6) atoms. The Fe(5)-Cu(2) bond length is 2.56 Å. The Fe(5)-Al(17) bond length is 2.50 Å. The Fe(5)-Al(19) bond length is 2.45 Å. The Fe(5)-Al(20) bond length is 2.40 Å. Both Fe(5)-Al(11) bond lengths are 2.42 Å. Both Fe(5)-Al(4) bond lengths are 2.63 Å. Both Fe(5)-Al(6) bond lengths are 2.44 Å. In the sixth Fe site, Fe(6) is bonded in a 10-coordinate geometry to one Cu(2), one Al(16), one Al(18), one Al(21), two equivalent Al(12), two equivalent Al(3), and two equivalent Al(5) atoms. The Fe(6)-Cu(2) bond length is 2.61 Å. The Fe(6)-Al(16) bond length is 2.55 Å. The Fe(6)-Al(18) bond length is 2.43 Å. The Fe(6)-Al(21) bond length is 2.40 Å. Both Fe(6)-Al(12) bond lengths are 2.43 Å. Both Fe(6)-Al(3) bond lengths are 2.58 Å. Both Fe(6)-Al(5) bond lengths are 2.41 Å. In the seventh Fe site, Fe(7) is bonded in a 9-coordinate geometry to one Al(1), one Al(11), one Al(13), one Al(16), one Al(24), one Al(26), one Al(3), one Al(5), and one Al(9) atom. The Fe(7)-Al(1) bond length is 2.32 Å. The Fe(7)-Al(11) bond length is 2.47 Å. The Fe(7)-Al(13) bond length is 2.49 Å. The Fe(7)-Al(16) bond length is 2.45 Å. The Fe(7)-Al(24) bond length is 2.59 Å. The Fe(7)-Al(26) bond length is 2.47 Å. The Fe(7)-Al(3) bond length is 2.58 Å. The Fe(7)-Al(5) bond length is 2.56 Å. The Fe(7)-Al(9) bond length is 2.49 Å. In the eighth Fe site, Fe(8) is bonded in a 9-coordinate geometry to one Cu(1), one Al(10), one Al(12), one Al(14), one Al(17), one Al(2), one Al(25), one Al(4), and one Al(6) atom. The Fe(8)-Cu(1) bond length is 2.56 Å. The Fe(8)-Al(10) bond length is 2.51 Å. The Fe(8)-Al(12) bond length is 2.43 Å. The Fe(8)-Al(14) bond length is 2.45 Å. The Fe(8)-Al(17) bond length is 2.44 Å. The Fe(8)-Al(2) bond length is 2.31 Å. The Fe(8)-Al(25) bond length is 2.54 Å. The Fe(8)-Al(4) bond length is 2.49 Å. The Fe(8)-Al(6) bond length is 2.62 Å. In the ninth Fe site, Fe(9) is bonded in a 10-coordinate geometry to one Al(16), one Al(20), one Al(21), one Al(7), two equivalent Al(10), two equivalent Al(13), and two equivalent Al(15) atoms. The Fe(9)-Al(16) bond length is 2.58 Å. The Fe(9)-Al(20) bond length is 2.40 Å. The Fe(9)-Al(21) bond length is 2.54 Å. The Fe(9)-Al(7) bond length is 2.43 Å. Both Fe(9)-Al(10) bond lengths are 2.47 Å. Both Fe(9)-Al(13) bond lengths are 2.69 Å. Both Fe(9)-Al(15) bond lengths are 2.44 Å. In the tenth Fe site, Fe(10) is bonded in a 10-coordinate geometry to one Al(17), one Al(20), one Al(21), one Al(8), two equivalent Al(14), two equivalent Al(15), and two equivalent Al(9) atoms. The Fe(10)-Al(17) bond length is 2.58 Å. The Fe(10)-Al(20) bond length is 2.55 Å. The Fe(10)-Al(21) bond length is 2.42 Å. The Fe(10)-Al(8) bond length is 2.51 Å. Both Fe(10)-Al(14) bond lengths are 2.71 Å. Both Fe(10)-Al(15) bond lengths are 2.43 Å. Both Fe(10)-Al(9) bond lengths are 2.41 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 11-coordinate geometry to one Fe(2), one Fe(3), two equivalent Fe(8), one Al(22), one Al(25), one Al(8), two equivalent Al(10), and two equivalent Al(6) atoms. The Cu(1)-Al(22) bond length is 2.34 Å. The Cu(1)-Al(25) bond length is 2.39 Å. The Cu(1)-Al(8) bond length is 2.52 Å. Both Cu(1)-Al(10) bond lengths are 2.52 Å. Both Cu(1)-Al(6) bond lengths are 2.57 Å. In the second Cu site, Cu(2) is bonded in a 10-coordinate geometry to one Fe(5), one Fe(6), two equivalent Al(11), two equivalent Al(12), two equivalent Al(5), and two equivalent Al(6) atoms. Both Cu(2)-Al(11) bond lengths are 2.55 Å. Both Cu(2)-Al(12) bond lengths are 2.54 Å. Both Cu(2)-Al(5) bond lengths are 2.65 Å. Both Cu(2)-Al(6) bond lengths are 2.70 Å. There are twenty-six inequivalent Al sites. In the first Al site, Al(1) is bonded in a linear geometry to two equivalent Fe(7) and two equivalent Al(13) atoms. Both Al(1)-Al(13) bond lengths are 2.98 Å. In the second Al site, Al(2) is bonded in a linear geometry to two equivalent Fe(8) and two equivalent Al(10) atoms. Both Al(2)-Al(10) bond lengths are 2.92 Å. In the third Al site, Al(3) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(6), one Fe(7), one Al(13), one Al(16), and one Al(23) atom. The Al(3)-Al(13) bond length is 2.85 Å. The Al(3)-Al(16) bond length is 2.64 Å. The Al(3)-Al(23) bond length is 2.80 Å. In the fourth Al site, Al(4) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), one Fe(8), and one Al(17) atom. The Al(4)-Al(17) bond length is 2.64 Å. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one Fe(4), one Fe(6), one Fe(7), one Cu(2), one Al(21), one Al(24), and one Al(26) atom. The Al(5)-Al(21) bond length is 2.85 Å. The Al(5)-Al(24) bond length is 2.71 Å. The Al(5)-Al(26) bond length is 2.67 Å. In the sixth Al site, Al(6) is bonded in a 5-coordinate geometry to one Fe(3), one Fe(5), one Fe(8), one Cu(1), one Cu(2), one Al(10), one Al(20), and one Al(25) atom. The Al(6)-Al(10) bond length is 2.74 Å. The Al(6)-Al(20) bond length is 2.83 Å. The Al(6)-Al(25) bond length is 2.65 Å. In the seventh Al site, Al(7) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(9), one Al(16), one Al(26), two equivalent Al(10), and two equivalent Al(13) atoms. The Al(7)-Al(16) bond length is 2.73 Å. The Al(7)-Al(26) bond length is 2.65 Å. Both Al(7)-Al(10) bond lengths are 2.92 Å. Both Al(7)-Al(13) bond lengths are 2.73 Å. In the eighth Al site, Al(8) is bonded in a 3-coordinate geometry to one Fe(10), one Fe(2), one Cu(1), one Al(17), two equivalent Al(10), and two equivalent Al(13) atoms. The Al(8)-Al(17) bond length is 2.66 Å. Both Al(8)-Al(10) bond lengths are 2.66 Å. Both Al(8)-Al(13) bond lengths are 2.98 Å. In the ninth Al site, Al(9) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(10), one Fe(7), one Al(13), one Al(21), and one Al(26) atom. The Al(9)-Al(13) bond length is 2.78 Å. The Al(9)-Al(21) bond length is 2.79 Å. The Al(9)-Al(26) bond length is 2.63 Å. In the tenth Al site, Al(10) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(8), one Fe(9), one Cu(1), one Al(13), one Al(14), one Al(15), one Al(2), one Al(20), one Al(6), one Al(7), and one Al(8) atom. The Al(10)-Al(13) bond length is 2.66 Å. The Al(10)-Al(14) bond length is 2.87 Å. The Al(10)-Al(15) bond length is 2.78 Å. The Al(10)-Al(20) bond length is 2.77 Å. In the eleventh Al site, Al(11) is bonded in a 3-coordinate geometry to one Fe(3), one Fe(5), one Fe(7), one Cu(2), and one Al(24) atom. The Al(11)-Al(24) bond length is 2.64 Å. In the twelfth Al site, Al(12) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(6), one Fe(8), one Cu(2), and one Al(25) atom. The Al(12)-Al(25) bond length is 2.66 Å. In the thirteenth Al site, Al(13) is bonded in a 12-coordinate geometry to one Fe(2), one Fe(7), one Fe(9), one Al(1), one Al(10), one Al(15), one Al(16), one Al(23), one Al(3), one Al(7), one Al(8), and one Al(9) atom. The Al(13)-Al(15) bond length is 2.79 Å. The Al(13)-Al(16) bond length is 2.64 Å. The Al(13)-Al(23) bond length is 2.79 Å. In the fourteenth Al site, Al(14) is bonded in a 2-coordinate geometry to one Fe(1), one Fe(10), one Fe(8), one Al(10), and one Al(17) atom. The Al(14)-Al(17) bond length is 2.66 Å. In the fifteenth Al site, Al(15) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(10), one Fe(2), one Fe(9), one Al(10), one Al(13), one Al(20), one Al(21), and one Al(23) atom. The Al(15)-Al(20) bond length is 2.81 Å. The Al(15)-Al(21) bond length is 2.78 Å. The Al(15)-Al(23) bond length is 2.85 Å. In the sixteenth Al site, Al(16) is bonded in a 11-coordinate geometry to one Fe(6), one Fe(9), two equivalent Fe(7), one Al(18), one Al(21), one Al(7), two equivalent Al(13), and two equivalent Al(3) atoms. The Al(16)-Al(18) bond length is 2.70 Å. The Al(16)-Al(21) bond length is 2.52 Å. In the seventeenth Al site, Al(17) is bonded in a 11-coordinate geometry to one Fe(10), one Fe(5), two equivalent Fe(8), one Al(19), one Al(20), one Al(8), two equivalent Al(14), and two equivalent Al(4) atoms. The Al(17)-Al(19) bond length is 2.68 Å. The Al(17)-Al(20) bond length is 2.51 Å. In the eighteenth Al site, Al(18) is bonded in a distorted bent 150 degrees geometry to one Fe(3), one Fe(6), one Al(16), and one Al(24) atom. The Al(18)-Al(24) bond length is 2.66 Å. In the nineteenth Al site, Al(19) is bonded in a distorted bent 150 degrees geometry to one Fe(4), one Fe(5), one Al(17), and one Al(25) atom. The Al(19)-Al(25) bond length is 2.65 Å. In the twentieth Al site, Al(20) is bonded in a 10-coordinate geometry to one Fe(10), one Fe(5), one Fe(9), one Al(17), two equivalent Al(10), two equivalent Al(15), and two equivalent Al(6) atoms. In the twenty-first Al site, Al(21) is bonded in a 10-coordinate geometry to one Fe(10), one Fe(6), one Fe(9), one Al(16), two equivalent Al(15), two equivalent Al(5), and two equivalent Al(9) atoms. In the twenty-second Al site, Al(22) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(2), one Fe(3), and one Cu(1) atom. In the twenty-third Al site, Al(23) is bonded in a 10-coordinate geometry to one Fe(1), one Fe(2), one Fe(4), one Al(26), two equivalent Al(13), two equivalent Al(15), and two equivalent Al(3) atoms. The Al(23)-Al(26) bond length is 2.49 Å. In the twenty-fourth Al site, Al(24) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(7), one Al(18), one Al(25), one Al(26), two equivalent Al(11), and two equivalent Al(5) atoms. The Al(24)-Al(25) bond length is 2.52 Å. The Al(24)-Al(26) bond length is 2.49 Å. In the twenty-fifth Al site, Al(25) is bonded in a 11-coordinate geometry to one Fe(3), one Fe(4), two equivalent Fe(8), one Cu(1), one Al(19), one Al(24), two equivalent Al(12), and two equivalent Al(6) atoms. In the twenty-sixth Al site, Al(26) is bonded in a 11-coordinate geometry to one Fe(1), one Fe(4), two equivalent Fe(7), one Al(23), one Al(24), one Al(7), two equivalent Al(5), and two equivalent Al(9) atoms.