Fe3Al11(PO4)16 crystallizes in the triclinic P1 space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1,3) is bonded to one O(22,54); one O(30); one O(32); and one O(9,41) atom to form distorted FeO4 tetrahedra that share  a cornercorner with one P(1,9)O4 tetrahedra;  a cornercorner with one P(5)O4 tetrahedra;  a cornercorner with one P(7,15)O4 tetrahedra;  a cornercorner with one P(8)O4 tetrahedra; and  a cornercorner with one Al(3,8)O5 trigonal bipyramid. The Fe(1,3)-O(22,54) bond length is 1.96 Å. The Fe(1,3)-O(30) bond length is 1.89 Å. The Fe(1,3)-O(32) bond length is 2.02 Å. The Fe(1,3)-O(9,41) bond length is 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(29), one O(50), one O(57), and one O(63) atom to form FeO4 tetrahedra that share  a cornercorner with one P(10)O4 tetrahedra,  a cornercorner with one P(11)O4 tetrahedra,  a cornercorner with one P(13)O4 tetrahedra, and  a cornercorner with one P(8)O4 tetrahedra. The Fe(2)-O(29) bond length is 1.88 Å. The Fe(2)-O(50) bond length is 1.91 Å. The Fe(2)-O(57) bond length is 1.87 Å. The Fe(2)-O(63) bond length is 1.85 Å. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(18), one O(25), one O(31), and one O(61) atom to form AlO4 tetrahedra that share  a cornercorner with one P(16)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The Al(1)-O(18) bond length is 1.91 Å. The Al(1)-O(25) bond length is 1.87 Å. The Al(1)-O(31) bond length is 1.85 Å. The Al(1)-O(61) bond length is 1.88 Å. In the second Al site, Al(2,7) is bonded to one O(1,33); one O(11,43); one O(13,45); one O(15,47); one O(2,34); and one O(5,37) atom to form AlO6 octahedra that share  a cornercorner with one Al(5,10)O5 square pyramid;  a cornercorner with one P(1,9)O4 tetrahedra;  a cornercorner with one P(7,15)O4 tetrahedra; corners with two equivalent P(6,14)O4 tetrahedra; and  an edgeedge with one P(4,12)O4 tetrahedra. The Al(2,7)-O(1,33) bond length is 1.87 Å. The Al(2,7)-O(11,43) bond length is 1.91 Å. The Al(2,7)-O(13,45) bond length is 1.81 Å. The Al(2,7)-O(15,47) bond length is 1.96 Å. The Al(2,7)-O(2,34) bond length is 2.06 Å. The Al(2,7)-O(5,37) bond length is 1.90 Å. In the third Al site, Al(3,8) is bonded to one O(10); one O(21,53); one O(23,55); one O(24); and one O(9,41) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one P(2)O4 tetrahedra;  a cornercorner with one P(5)O4 tetrahedra;  a cornercorner with one P(6,14)O4 tetrahedra; and corners with two equivalent P(7,15)O4 tetrahedra. The Al(3,8)-O(10) bond length is 1.79 Å. The Al(3,8)-O(21,53) bond length is 1.74 Å. The Al(3,8)-O(23,55) bond length is 1.82 Å. The Al(3,8)-O(24) bond length is 1.77 Å. The Al(3,8)-O(9,41) bond length is 2.12 Å. In the fourth Al site, Al(4,9) is bonded to one O(16,48); one O(17); one O(20,52); one O(27); and one O(6,38) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(1,9)O4 tetrahedra;  a cornercorner with one P(2)O4 tetrahedra;  a cornercorner with one P(4,12)O4 tetrahedra;  a cornercorner with one P(7,15)O4 tetrahedra; and  a cornercorner with one P(8)O4 tetrahedra. The Al(4,9)-O(16,48) bond length is 1.90 Å. The Al(4,9)-O(17) bond length is 1.91 Å. The Al(4,9)-O(20,52) bond length is 1.80 Å. The Al(4,9)-O(27) bond length is 1.85 Å. The Al(4,9)-O(6,38) bond length is 1.81 Å. In the fifth Al site, Al(5,10) is bonded to one O(2,34); one O(4); one O(46); one O(7,39); and one O(8) atom to form AlO5 square pyramids that share  a cornercorner with one Al(2,7)O6 octahedra;  a cornercorner with one P(1,9)O4 tetrahedra;  a cornercorner with one P(11)O4 tetrahedra;  a cornercorner with one P(3)O4 tetrahedra;  a cornercorner with one P(4,12)O4 tetrahedra; and  a cornercorner with one P(8)O4 tetrahedra. The corner-sharing octahedral tilt angles are 49°. The Al(5,10)-O(2,34) bond length is 1.96 Å. The Al(5,10)-O(4) bond length is 1.84 Å. The Al(5,10)-O(46) bond length is 1.87 Å. The Al(5,10)-O(7,39) bond length is 1.85 Å. The Al(5,10)-O(8) bond length is 1.89 Å. In the sixth Al site, Al(6,11) is bonded to one O(12,44); one O(19); one O(26,58); one O(28); and one O(3) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra;  a cornercorner with one P(3)O4 tetrahedra;  a cornercorner with one P(4,12)O4 tetrahedra;  a cornercorner with one P(5)O4 tetrahedra; and  a cornercorner with one P(6,14)O4 tetrahedra. The Al(6,11)-O(12,44) bond length is 1.91 Å. The Al(6,11)-O(19) bond length is 2.04 Å. The Al(6,11)-O(26,58) bond length is 1.75 Å. The Al(6,11)-O(28) bond length is 1.76 Å. The Al(6,11)-O(3) bond length is 1.79 Å. There are twelve inequivalent P sites. In the first P site, P(1,9) is bonded to one O(1,33); one O(20,52); one O(22,54); and one O(7,39) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2,7)O6 octahedra;  a cornercorner with one Al(5,10)O5 square pyramid;  a cornercorner with one Fe(1,3)O4 tetrahedra; and  a cornercorner with one Al(4,9)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 51°. The P(1,9)-O(1,33) bond length is 1.54 Å. The P(1,9)-O(20,52) bond length is 1.52 Å. The P(1,9)-O(22,54) bond length is 1.54 Å. The P(1,9)-O(7,39) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(17), one O(19), one O(24), and one O(25) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra;  a cornercorner with one Al(3,8)O5 trigonal bipyramid;  a cornercorner with one Al(4,9)O5 trigonal bipyramid; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(2)-O(17) bond length is 1.51 Å. The P(2)-O(19) bond length is 1.54 Å. The P(2)-O(24) bond length is 1.51 Å. The P(2)-O(25) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(14), one O(18), one O(3), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Al(5,10)O5 square pyramids;  a cornercorner with one Al(1)O4 tetrahedra; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(3)-O(14) bond length is 1.53 Å. The P(3)-O(18) bond length is 1.54 Å. The P(3)-O(3) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.52 Å. In the fourth P site, P(4,12) is bonded to one O(12,44); one O(15,47); one O(16,48); and one O(2,34) atom to form PO4 tetrahedra that share  a cornercorner with one Al(5,10)O5 square pyramid;  a cornercorner with one Al(4,9)O5 trigonal bipyramid;  a cornercorner with one Al(6,11)O5 trigonal bipyramid; and  an edgeedge with one Al(2,7)O6 octahedra. The P(4,12)-O(12,44) bond length is 1.51 Å. The P(4,12)-O(15,47) bond length is 1.55 Å. The P(4,12)-O(16,48) bond length is 1.51 Å. The P(4,12)-O(2,34) bond length is 1.57 Å. In the fifth P site, P(5) is bonded to one O(10), one O(28), one O(31), and one O(32) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one Al(1)O4 tetrahedra;  a cornercorner with one Al(3,8)O5 trigonal bipyramid; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(5)-O(10) bond length is 1.52 Å. The P(5)-O(28) bond length is 1.53 Å. The P(5)-O(31) bond length is 1.52 Å. The P(5)-O(32) bond length is 1.51 Å. In the sixth P site, P(6,14) is bonded to one O(13,45); one O(23,55); one O(26,58); and one O(5,37) atom to form PO4 tetrahedra that share corners with two equivalent Al(2,7)O6 octahedra;  a cornercorner with one Al(3,8)O5 trigonal bipyramid; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-42°. The P(6,14)-O(13,45) bond length is 1.52 Å. The P(6,14)-O(23,55) bond length is 1.53 Å. The P(6,14)-O(26,58) bond length is 1.51 Å. The P(6,14)-O(5,37) bond length is 1.55 Å. In the seventh P site, P(7,15) is bonded to one O(11,43); one O(21,53); one O(6,38); and one O(9,41) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2,7)O6 octahedra;  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one Al(4,9)O5 trigonal bipyramid; and corners with two equivalent Al(3,8)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 32°. The P(7,15)-O(11,43) bond length is 1.52 Å. The P(7,15)-O(21,53) bond length is 1.52 Å. The P(7,15)-O(6,38) bond length is 1.54 Å. The P(7,15)-O(9,41) bond length is 1.57 Å. In the eighth P site, P(8) is bonded to one O(27), one O(29), one O(30), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Al(5,10)O5 square pyramid;  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one Fe(2)O4 tetrahedra; and  a cornercorner with one Al(4,9)O5 trigonal bipyramid. The P(8)-O(27) bond length is 1.54 Å. The P(8)-O(29) bond length is 1.55 Å. The P(8)-O(30) bond length is 1.52 Å. The P(8)-O(4) bond length is 1.52 Å. In the ninth P site, P(10) is bonded to one O(49), one O(51), one O(56), and one O(57) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O4 tetrahedra;  a cornercorner with one Al(3,8)O5 trigonal bipyramid;  a cornercorner with one Al(4,9)O5 trigonal bipyramid; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(10)-O(49) bond length is 1.51 Å. The P(10)-O(51) bond length is 1.54 Å. The P(10)-O(56) bond length is 1.51 Å. The P(10)-O(57) bond length is 1.53 Å. In the tenth P site, P(11) is bonded to one O(35), one O(40), one O(46), and one O(50) atom to form PO4 tetrahedra that share corners with two equivalent Al(5,10)O5 square pyramids;  a cornercorner with one Fe(2)O4 tetrahedra; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(11)-O(35) bond length is 1.54 Å. The P(11)-O(40) bond length is 1.52 Å. The P(11)-O(46) bond length is 1.53 Å. The P(11)-O(50) bond length is 1.54 Å. In the eleventh P site, P(13) is bonded to one O(42), one O(60), one O(63), and one O(64) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one Fe(2)O4 tetrahedra;  a cornercorner with one Al(3,8)O5 trigonal bipyramid; and  a cornercorner with one Al(6,11)O5 trigonal bipyramid. The P(13)-O(42) bond length is 1.52 Å. The P(13)-O(60) bond length is 1.53 Å. The P(13)-O(63) bond length is 1.52 Å. The P(13)-O(64) bond length is 1.51 Å. In the twelfth P site, P(16) is bonded to one O(36), one O(59), one O(61), and one O(62) atom to form PO4 tetrahedra that share  a cornercorner with one Al(5,10)O5 square pyramid;  a cornercorner with one Fe(1,3)O4 tetrahedra;  a cornercorner with one Al(1)O4 tetrahedra; and  a cornercorner with one Al(4,9)O5 trigonal bipyramid. The P(16)-O(36) bond length is 1.52 Å. The P(16)-O(59) bond length is 1.54 Å. The P(16)-O(61) bond length is 1.55 Å. The P(16)-O(62) bond length is 1.52 Å. There are forty-eight inequivalent O sites. In the first O site, O(1,33) is bonded in a bent 120 degrees geometry to one Al(2,7) and one P(1,9) atom. In the second O site, O(2,34) is bonded in a 3-coordinate geometry to one Al(2,7); one Al(5,10); and one P(4,12) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Al(6,11) and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(5,10) and one P(8) atom. In the fifth O site, O(5,37) is bonded in a bent 150 degrees geometry to one Al(2,7) and one P(6,14) atom. In the sixth O site, O(6,38) is bonded in a bent 150 degrees geometry to one Al(4,9) and one P(7,15) atom. In the seventh O site, O(7,39) is bonded in a distorted bent 150 degrees geometry to one Al(5,10) and one P(1,9) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Al(5,10) and one P(3) atom. In the ninth O site, O(9,41) is bonded in a distorted trigonal planar geometry to one Fe(1,3); one Al(3,8); and one P(7,15) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(3,8) and one P(5) atom. In the eleventh O site, O(11,43) is bonded in a distorted bent 150 degrees geometry to one Al(2,7) and one P(7,15) atom. In the twelfth O site, O(12,44) is bonded in a bent 150 degrees geometry to one Al(6,11) and one P(4,12) atom. In the thirteenth O site, O(13,45) is bonded in a bent 150 degrees geometry to one Al(2,7) and one P(6,14) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Al(5,10) and one P(3) atom. The O(14)-Al(5,10) bond length is 1.87 Å. In the fifteenth O site, O(15,47) is bonded in an L-shaped geometry to one Al(2,7) and one P(4,12) atom. In the sixteenth O site, O(16,48) is bonded in a bent 150 degrees geometry to one Al(4,9) and one P(4,12) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Al(4,9) and one P(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(3) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one Al(6,11) and one P(2) atom. In the twentieth O site, O(20,52) is bonded in a bent 150 degrees geometry to one Al(4,9) and one P(1,9) atom. In the twenty-first O site, O(21,53) is bonded in a linear geometry to one Al(3,8) and one P(7,15) atom. In the twenty-second O site, O(22,54) is bonded in a water-like geometry to one Fe(1,3) and one P(1,9) atom. In the twenty-third O site, O(23,55) is bonded in a bent 150 degrees geometry to one Al(3,8) and one P(6,14) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Al(3,8) and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one P(2) atom. In the twenty-sixth O site, O(26,58) is bonded in a linear geometry to one Al(6,11) and one P(6,14) atom. In the twenty-seventh O site, O(27) is bonded in a bent 120 degrees geometry to one Al(4,9) and one P(8) atom. In the twenty-eighth O site, O(28) is bonded in a bent 150 degrees geometry to one Al(6,11) and one P(5) atom. In the twenty-ninth O site, O(29) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(8) atom. In the thirtieth O site, O(30) is bonded in a bent 150 degrees geometry to one Fe(1,3) and one P(8) atom. In the thirty-first O site, O(31) is bonded in a bent 150 degrees geometry to one Al(1) and one P(5) atom. In the thirty-second O site, O(32) is bonded in a bent 120 degrees geometry to one Fe(1,3) and one P(5) atom. In the thirty-third O site, O(35) is bonded in a bent 120 degrees geometry to one Al(6,11) and one P(11) atom. The O(35)-Al(6,11) bond length is 1.79 Å. In the thirty-fourth O site, O(36) is bonded in a bent 150 degrees geometry to one Al(5,10) and one P(16) atom. The O(36)-Al(5,10) bond length is 1.84 Å. In the thirty-fifth O site, O(40) is bonded in a bent 150 degrees geometry to one Al(5,10) and one P(11) atom. The O(40)-Al(5,10) bond length is 1.89 Å. In the thirty-sixth O site, O(42) is bonded in a bent 150 degrees geometry to one Al(3,8) and one P(13) atom. The O(42)-Al(3,8) bond length is 1.79 Å. In the thirty-seventh O site, O(46) is bonded in a distorted bent 120 degrees geometry to one Al(5,10) and one P(11) atom. In the thirty-eighth O site, O(49) is bonded in a bent 150 degrees geometry to one Al(4,9) and one P(10) atom. The O(49)-Al(4,9) bond length is 1.91 Å. In the thirty-ninth O site, O(50) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(11) atom. In the fortieth O site, O(51) is bonded in a distorted bent 150 degrees geometry to one Al(6,11) and one P(10) atom. The O(51)-Al(6,11) bond length is 2.04 Å. In the forty-first O site, O(56) is bonded in a bent 150 degrees geometry to one Al(3,8) and one P(10) atom. The O(56)-Al(3,8) bond length is 1.77 Å. In the forty-second O site, O(57) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(10) atom. In the forty-third O site, O(59) is bonded in a bent 120 degrees geometry to one Al(4,9) and one P(16) atom. The O(59)-Al(4,9) bond length is 1.85 Å. In the forty-fourth O site, O(60) is bonded in a bent 150 degrees geometry to one Al(6,11) and one P(13) atom. The O(60)-Al(6,11) bond length is 1.76 Å. In the forty-fifth O site, O(61) is bonded in a bent 120 degrees geometry to one Al(1) and one P(16) atom. In the forty-sixth O site, O(62) is bonded in a bent 150 degrees geometry to one Fe(1,3) and one P(16) atom. The O(62)-Fe(1,3) bond length is 1.89 Å. In the forty-seventh O site, O(63) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(13) atom. In the forty-eighth O site, O(64) is bonded in a bent 120 degrees geometry to one Fe(1,3) and one P(13) atom. The O(64)-Fe(1,3) bond length is 2.02 Å. Linkers: 16 [O]P([O])([O])=O. Metal clusters: 11 [Al] ,3 [Fe]. The MOF has largest included sphere 4.43 A, density 2.07 g/cm3, surface area 2181.06 m2/g, accessible volume 0.18 cm3/g