The structure described by Al2O3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(7) atom to form distorted AlO5 square pyramids that share  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(15)O6 octahedra, corners with two equivalent Al(16)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(21), one O(22), and one O(3) atom. In the third Al site, Al(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted AlO6 octahedra that share corners with two equivalent Al(16)O6 octahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Al(8)O6 octahedra, edges with two equivalent Al(1)O5 square pyramids, and  a faceface with one Al(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Al site, Al(4) is bonded to one O(13), one O(19), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(8)O6 octahedra, corners with three equivalent Al(12)O6 octahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid, and corners with two equivalent Al(13)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-66°. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one O(11), one O(5), one O(6), and one O(9) atom. In the sixth Al site, Al(6) is bonded to one O(12), one O(15), one O(18), and one O(9) atom to form AlO4 tetrahedra that share corners with three equivalent Al(12)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid,  a cornercorner with one Al(13)O5 trigonal bipyramid, and  an edgeedge with one Al(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the seventh Al site, Al(7) is bonded to one O(11), one O(12), one O(2), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(12)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(8)O6 octahedra,  a cornercorner with one Al(1)O5 square pyramid, and  a cornercorner with one Al(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the eighth Al site, Al(8) is bonded to one O(11), one O(18), one O(2), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent Al(12)O6 octahedra,  a cornercorner with one Al(1)O5 square pyramid,  a cornercorner with one Al(4)O4 tetrahedra, corners with three equivalent Al(7)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the ninth Al site, Al(9) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(21), and one O(23) atom. In the tenth Al site, Al(10) is bonded to one O(13), one O(14), one O(15), one O(17), and one O(20) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(12)O6 octahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra,  a cornercorner with one Al(13)O5 trigonal bipyramid,  an edgeedge with one Al(11)O6 octahedra, and  an edgeedge with one Al(13)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. In the eleventh Al site, Al(11) is bonded to one O(16), one O(17), one O(20), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share corners with two equivalent Al(15)O6 octahedra, corners with two equivalent Al(16)O6 octahedra,  a cornercorner with one Al(13)O5 trigonal bipyramid, and  an edgeedge with one Al(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. In the twelfth Al site, Al(12) is bonded to one O(12), one O(13), one O(18), one O(19), one O(8), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent Al(8)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with three equivalent Al(4)O4 tetrahedra, corners with three equivalent Al(6)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid, and  an edgeedge with one Al(13)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-47°. In the thirteenth Al site, Al(13) is bonded to one O(14), one O(15), one O(19), one O(20), and one O(8) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(11)O6 octahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(4)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid,  an edgeedge with one Al(12)O6 octahedra, and  an edgeedge with one Al(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. In the fourteenth Al site, Al(14) is bonded in a rectangular see-saw-like geometry to one O(17), one O(20), one O(23), and one O(24) atom. In the fifteenth Al site, Al(15) is bonded to one O(10), one O(16), one O(22), one O(24), one O(3), and one O(4) atom to form distorted AlO6 octahedra that share corners with two equivalent Al(11)O6 octahedra, corners with two equivalent Al(1)O5 square pyramids, edges with two equivalent Al(16)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the sixteenth Al site, Al(16) is bonded to one O(1), one O(10), one O(21), one O(22), one O(24), and one O(4) atom to form AlO6 octahedra that share corners with two equivalent Al(11)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with two equivalent Al(1)O5 square pyramids, and edges with two equivalent Al(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Al(1), one Al(16), and one Al(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Al(3), one Al(7), and one Al(8) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Al(1), one Al(15), one Al(2), and one Al(3) atom. In the fourth O site, O(4) is bonded to one Al(1), one Al(15), one Al(16), and one Al(3) atom to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one Al(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Al(4), one Al(5), and one Al(8) atom. In the seventh O site, O(7) is bonded to one Al(1), one Al(3), one Al(7), and one Al(8) atom to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(12), one Al(13), and one Al(4) atom. In the ninth O site, O(9) is bonded to one Al(12), one Al(5), one Al(6), and one Al(8) atom to form distorted corner-sharing OAl4 tetrahedra. In the tenth O site, O(10) is bonded to one Al(15), one Al(16), one Al(2), and one Al(3) atom to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Al(5), one Al(7), and one Al(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Al(12), one Al(6), and one Al(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Al(10), one Al(12), and one Al(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Al(10), one Al(13), and one Al(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Al(10), one Al(13), and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Al(11), one Al(15), one Al(2), and one Al(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Al(10), one Al(11), and one Al(14) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Al(12), one Al(6), and one Al(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Al(12), one Al(13), and one Al(4) atom. In the twentieth O site, O(20) is bonded to one Al(10), one Al(11), one Al(13), and one Al(14) atom to form distorted corner-sharing OAl4 trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Al(11), one Al(16), one Al(2), and one Al(9) atom. In the twenty-second O site, O(22) is bonded to one Al(11), one Al(15), one Al(16), and one Al(2) atom to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Al(11), one Al(14), and one Al(9) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Al(14), one Al(15), and one Al(16) atom. is represented by the CIF file [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.604
_cell_length_c   14.560
_cell_angle_alpha   78.939
_cell_angle_beta   81.829
_cell_angle_gamma   60.898
_symmetry_Int_Tables_number   1
_cell_volume   389.507
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.954  0.212  0.135  1.0
  Al  Al1  1  0.485  0.742  0.019  1.0
  Al  Al2  1  0.491  0.104  0.163  1.0
  Al  Al3  1  0.429  0.009  0.524  1.0
  Al  Al4  1  0.142  0.337  0.329  1.0
  Al  Al5  1  0.103  0.697  0.471  1.0
  Al  Al6  1  0.474  0.585  0.289  1.0
  Al  Al7  1  0.773  0.919  0.327  1.0
  Al  Al8  1  0.018  0.206  0.842  1.0
  Al  Al9  1  0.790  0.544  0.664  1.0
  Al  Al10  1  0.560  0.819  0.829  1.0
  Al  Al11  1  0.742  0.351  0.490  1.0
  Al  Al12  1  0.917  0.974  0.648  1.0
  Al  Al13  1  0.268  0.515  0.791  1.0
  Al  Al14  1  0.516  0.255  0.976  1.0
  Al  Al15  1  0.006  0.710  0.998  1.0
  O  O16  1  0.813  0.545  0.069  1.0
  O  O17  1  0.633  0.788  0.249  1.0
  O  O18  1  0.316  0.041  0.077  1.0
  O  O19  1  0.799  0.044  0.074  1.0
  O  O20  1  0.145  0.226  0.225  1.0
  O  O21  1  0.427  0.077  0.396  1.0
  O  O22  1  0.655  0.250  0.234  1.0
  O  O23  1  0.074  0.139  0.558  1.0
  O  O24  1  0.917  0.552  0.416  1.0
  O  O25  1  0.339  0.510  0.061  1.0
  O  O26  1  0.134  0.679  0.272  1.0
  O  O27  1  0.441  0.536  0.417  1.0
  O  O28  1  0.594  0.644  0.563  1.0
  O  O29  1  0.887  0.204  0.731  1.0
  O  O30  1  0.048  0.650  0.594  1.0
  O  O31  1  0.698  0.433  0.899  1.0
  O  O32  1  0.446  0.697  0.741  1.0
  O  O33  1  0.917  0.042  0.408  1.0
  O  O34  1  0.606  0.140  0.577  1.0
  O  O35  1  0.895  0.712  0.754  1.0
  O  O36  1  0.209  0.898  0.920  1.0
  O  O37  1  0.673  0.917  0.930  1.0
  O  O38  1  0.343  0.181  0.779  1.0
  O  O39  1  0.192  0.450  0.913  1.0
[/CIF]
.
The structure described by Al2O3 crystallizes in the triclinic P1 space group. There are sixteen inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(7) atom to form distorted AlO5 square pyramids that share  a cornercorner with one Al(8)O6 octahedra, corners with two equivalent Al(15)O6 octahedra, corners with two equivalent Al(16)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra, and edges with two equivalent Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-69°. In the second Al site, Al(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(16), one O(21), one O(22), and one O(3) atom. In the third Al site, Al(3) is bonded to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form distorted AlO6 octahedra that share corners with two equivalent Al(16)O6 octahedra, corners with two equivalent Al(7)O4 tetrahedra,  an edgeedge with one Al(8)O6 octahedra, edges with two equivalent Al(1)O5 square pyramids, and  a faceface with one Al(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the fourth Al site, Al(4) is bonded to one O(13), one O(19), one O(6), and one O(8) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(8)O6 octahedra, corners with three equivalent Al(12)O6 octahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid, and corners with two equivalent Al(13)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-66°. In the fifth Al site, Al(5) is bonded in a 4-coordinate geometry to one O(11), one O(5), one O(6), and one O(9) atom. In the sixth Al site, Al(6) is bonded to one O(12), one O(15), one O(18), and one O(9) atom to form AlO4 tetrahedra that share corners with three equivalent Al(12)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid,  a cornercorner with one Al(13)O5 trigonal bipyramid, and  an edgeedge with one Al(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-65°. In the seventh Al site, Al(7) is bonded to one O(11), one O(12), one O(2), and one O(7) atom to form AlO4 tetrahedra that share  a cornercorner with one Al(12)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(8)O6 octahedra,  a cornercorner with one Al(1)O5 square pyramid, and  a cornercorner with one Al(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-67°. In the eighth Al site, Al(8) is bonded to one O(11), one O(18), one O(2), one O(6), one O(7), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent Al(12)O6 octahedra,  a cornercorner with one Al(1)O5 square pyramid,  a cornercorner with one Al(4)O4 tetrahedra, corners with three equivalent Al(7)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(6)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-47°. In the ninth Al site, Al(9) is bonded in a 4-coordinate geometry to one O(14), one O(16), one O(21), and one O(23) atom. In the tenth Al site, Al(10) is bonded to one O(13), one O(14), one O(15), one O(17), and one O(20) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one Al(12)O6 octahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(6)O4 tetrahedra,  a cornercorner with one Al(13)O5 trigonal bipyramid,  an edgeedge with one Al(11)O6 octahedra, and  an edgeedge with one Al(13)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 70°. In the eleventh Al site, Al(11) is bonded to one O(16), one O(17), one O(20), one O(21), one O(22), and one O(23) atom to form AlO6 octahedra that share corners with two equivalent Al(15)O6 octahedra, corners with two equivalent Al(16)O6 octahedra,  a cornercorner with one Al(13)O5 trigonal bipyramid, and  an edgeedge with one Al(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 38-51°. In the twelfth Al site, Al(12) is bonded to one O(12), one O(13), one O(18), one O(19), one O(8), and one O(9) atom to form AlO6 octahedra that share corners with two equivalent Al(8)O6 octahedra,  a cornercorner with one Al(7)O4 tetrahedra, corners with three equivalent Al(4)O4 tetrahedra, corners with three equivalent Al(6)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid, and  an edgeedge with one Al(13)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-47°. In the thirteenth Al site, Al(13) is bonded to one O(14), one O(15), one O(19), one O(20), and one O(8) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one Al(11)O6 octahedra,  a cornercorner with one Al(6)O4 tetrahedra, corners with two equivalent Al(4)O4 tetrahedra,  a cornercorner with one Al(10)O5 trigonal bipyramid,  an edgeedge with one Al(12)O6 octahedra, and  an edgeedge with one Al(10)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 61°. In the fourteenth Al site, Al(14) is bonded in a rectangular see-saw-like geometry to one O(17), one O(20), one O(23), and one O(24) atom. In the fifteenth Al site, Al(15) is bonded to one O(10), one O(16), one O(22), one O(24), one O(3), and one O(4) atom to form distorted AlO6 octahedra that share corners with two equivalent Al(11)O6 octahedra, corners with two equivalent Al(1)O5 square pyramids, edges with two equivalent Al(16)O6 octahedra, and  a faceface with one Al(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the sixteenth Al site, Al(16) is bonded to one O(1), one O(10), one O(21), one O(22), one O(24), and one O(4) atom to form AlO6 octahedra that share corners with two equivalent Al(11)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, corners with two equivalent Al(1)O5 square pyramids, and edges with two equivalent Al(15)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Al(1), one Al(16), and one Al(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Al(3), one Al(7), and one Al(8) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Al(1), one Al(15), one Al(2), and one Al(3) atom. In the fourth O site, O(4) is bonded to one Al(1), one Al(15), one Al(16), and one Al(3) atom to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Al(1), one Al(3), and one Al(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Al(4), one Al(5), and one Al(8) atom. In the seventh O site, O(7) is bonded to one Al(1), one Al(3), one Al(7), and one Al(8) atom to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(12), one Al(13), and one Al(4) atom. In the ninth O site, O(9) is bonded to one Al(12), one Al(5), one Al(6), and one Al(8) atom to form distorted corner-sharing OAl4 tetrahedra. In the tenth O site, O(10) is bonded to one Al(15), one Al(16), one Al(2), and one Al(3) atom to form a mixture of distorted edge and corner-sharing OAl4 trigonal pyramids. In the eleventh O site, O(11) is bonded in a distorted T-shaped geometry to one Al(5), one Al(7), and one Al(8) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Al(12), one Al(6), and one Al(7) atom. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Al(10), one Al(12), and one Al(4) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Al(10), one Al(13), and one Al(9) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal non-coplanar geometry to one Al(10), one Al(13), and one Al(6) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one Al(11), one Al(15), one Al(2), and one Al(9) atom. In the seventeenth O site, O(17) is bonded in a trigonal non-coplanar geometry to one Al(10), one Al(11), and one Al(14) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Al(12), one Al(6), and one Al(8) atom. In the nineteenth O site, O(19) is bonded in a distorted trigonal non-coplanar geometry to one Al(12), one Al(13), and one Al(4) atom. In the twentieth O site, O(20) is bonded to one Al(10), one Al(11), one Al(13), and one Al(14) atom to form distorted corner-sharing OAl4 trigonal pyramids. In the twenty-first O site, O(21) is bonded in a distorted see-saw-like geometry to one Al(11), one Al(16), one Al(2), and one Al(9) atom. In the twenty-second O site, O(22) is bonded to one Al(11), one Al(15), one Al(16), and one Al(2) atom to form a mixture of edge and corner-sharing OAl4 trigonal pyramids. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Al(11), one Al(14), and one Al(9) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Al(14), one Al(15), and one Al(16) atom. is represented by the CIF file [CIF]
data_Al2O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.576
_cell_length_b   5.604
_cell_length_c   14.560
_cell_angle_alpha   78.939
_cell_angle_beta   81.829
_cell_angle_gamma   60.898
_symmetry_Int_Tables_number   1
_cell_volume   389.507
_cell_formula_units_Z   8
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Al  Al0  1  0.954  0.212  0.135  1.0
  Al  Al1  1  0.485  0.742  0.019  1.0
  Al  Al2  1  0.491  0.104  0.163  1.0
  Al  Al3  1  0.429  0.009  0.524  1.0
  Al  Al4  1  0.142  0.337  0.329  1.0
  Al  Al5  1  0.103  0.697  0.471  1.0
  Al  Al6  1  0.474  0.585  0.289  1.0
  Al  Al7  1  0.773  0.919  0.327  1.0
  Al  Al8  1  0.018  0.206  0.842  1.0
  Al  Al9  1  0.790  0.544  0.664  1.0
  Al  Al10  1  0.560  0.819  0.829  1.0
  Al  Al11  1  0.742  0.351  0.490  1.0
  Al  Al12  1  0.917  0.974  0.648  1.0
  Al  Al13  1  0.268  0.515  0.791  1.0
  Al  Al14  1  0.516  0.255  0.976  1.0
  Al  Al15  1  0.006  0.710  0.998  1.0
  O  O16  1  0.813  0.545  0.069  1.0
  O  O17  1  0.633  0.788  0.249  1.0
  O  O18  1  0.316  0.041  0.077  1.0
  O  O19  1  0.799  0.044  0.074  1.0
  O  O20  1  0.145  0.226  0.225  1.0
  O  O21  1  0.427  0.077  0.396  1.0
  O  O22  1  0.655  0.250  0.234  1.0
  O  O23  1  0.074  0.139  0.558  1.0
  O  O24  1  0.917  0.552  0.416  1.0
  O  O25  1  0.339  0.510  0.061  1.0
  O  O26  1  0.134  0.679  0.272  1.0
  O  O27  1  0.441  0.536  0.417  1.0
  O  O28  1  0.594  0.644  0.563  1.0
  O  O29  1  0.887  0.204  0.731  1.0
  O  O30  1  0.048  0.650  0.594  1.0
  O  O31  1  0.698  0.433  0.899  1.0
  O  O32  1  0.446  0.697  0.741  1.0
  O  O33  1  0.917  0.042  0.408  1.0
  O  O34  1  0.606  0.140  0.577  1.0
  O  O35  1  0.895  0.712  0.754  1.0
  O  O36  1  0.209  0.898  0.920  1.0
  O  O37  1  0.673  0.917  0.930  1.0
  O  O38  1  0.343  0.181  0.779  1.0
  O  O39  1  0.192  0.450  0.913  1.0
[/CIF]
.