The crystal structure described by AlPO6 crystallizes in the triclinic P1 space group. The structure consists of three 7782-44-7 molecules inside a AlPO5 framework. In the AlPO5 framework, there are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(19), one O(29), one O(7), and one O(8) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(10), one O(21), one O(4), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(23), one O(25), one O(26), and one O(6) atom to form distorted AlO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(13), one O(14), one O(20), and one O(5) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the fifth Al site, Al(5) is bonded to one O(15), one O(16), one O(2), and one O(22) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the sixth Al site, Al(6) is bonded to one O(17), one O(18), one O(24), one O(27), and one O(3) atom to form distorted 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)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(5)O4 tetrahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 31°. In the second P site, P(2) is bonded to one O(22), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(24), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Al(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 41°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(19), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Al(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth P site, P(6) is bonded to one O(1), one O(16), one O(17), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 37°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(5) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(6) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Al(3) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(4) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(4) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(5) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Al(6) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Al(6) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Al(4) and one P(1) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Al(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Al(5) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Al(3) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Al(6) and one P(3) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to one Al(3) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to one Al(3) atom. In the twenty-seventh O site, O(27) is bonded in a water-like geometry to one Al(6) and one O(28) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one O(27) and one O(35) atom. In the twenty-ninth O site, O(29) is bonded in a single-bond geometry to one Al(1) atom. In the thirtieth O site, O(35) is bonded in a single-bond geometry to one O(28) atom. is represented by the CIF file [CIF]
data_AlPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.119
_cell_length_b   9.584
_cell_length_c   9.677
_cell_angle_alpha   94.903
_cell_angle_beta   101.616
_cell_angle_gamma   95.932
_symmetry_Int_Tables_number   1
_cell_volume   819.081
_cell_formula_units_Z   6
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  0.301  0.092  0.882  1.0
  Al  Al1  1  0.906  0.326  0.100  1.0
  Al  Al2  1  0.160  0.859  0.358  1.0
  Al  Al3  1  0.701  0.887  0.107  1.0
  Al  Al4  1  0.103  0.658  0.891  1.0
  Al  Al5  1  0.859  0.119  0.641  1.0
  P  P6  1  0.355  0.876  0.114  1.0
  P  P7  1  0.107  0.336  0.866  1.0
  P  P8  1  0.946  0.103  0.328  1.0
  P  P9  1  0.660  0.112  0.886  1.0
  P  P10  1  0.909  0.647  0.120  1.0
  P  P11  1  0.058  0.873  0.663  1.0
  O  O12  1  0.208  0.969  0.732  1.0
  O  O13  1  0.257  0.760  0.006  1.0
  O  O14  1  0.982  0.263  0.743  1.0
  O  O15  1  0.737  0.243  0.990  1.0
  O  O16  1  0.807  0.999  0.253  1.0
  O  O17  1  0.038  0.731  0.231  1.0
  O  O18  1  0.347  0.022  0.053  1.0
  O  O19  1  0.254  0.266  0.874  1.0
  O  O20  1  0.056  0.330  0.009  1.0
  O  O21  1  0.956  0.236  0.251  1.0
  O  O22  1  0.089  0.029  0.322  1.0
  O  O23  1  0.308  0.883  0.256  1.0
  O  O24  1  0.700  0.977  0.956  1.0
  O  O25  1  0.766  0.721  0.106  1.0
  O  O26  1  0.950  0.635  0.973  1.0
  O  O27  1  0.046  0.740  0.739  1.0
  O  O28  1  0.920  0.951  0.671  1.0
  O  O29  1  0.718  0.112  0.748  1.0
  O  O30  1  0.489  0.116  0.853  1.0
  O  O31  1  0.519  0.849  0.135  1.0
  O  O32  1  0.875  0.497  0.161  1.0
  O  O33  1  0.147  0.490  0.841  1.0
  O  O34  1  0.055  0.829  0.505  1.0
  O  O35  1  0.936  0.145  0.481  1.0
  O  O36  1  0.272  0.745  0.478  1.0
  O  O37  1  0.307  0.003  0.499  1.0
  O  O38  1  0.658  0.125  0.488  1.0
  O  O39  1  0.630  0.260  0.482  1.0
  O  O40  1  0.113  0.042  0.959  1.0
  O  O41  1  0.563  0.713  0.808  1.0
  O  O42  1  0.640  0.729  0.719  1.0
  O  O43  1  0.216  0.442  0.485  1.0
  O  O44  1  0.473  0.491  0.095  1.0
  O  O45  1  0.454  0.492  0.217  1.0
  O  O46  1  0.513  0.280  0.395  1.0
  O  O47  1  0.300  0.356  0.526  1.0
[/CIF]
.
The crystal structure described by AlPO6 crystallizes in the triclinic P1 space group. The structure consists of three 7782-44-7 molecules inside a AlPO5 framework. In the AlPO5 framework, there are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(19), one O(29), one O(7), and one O(8) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(10), one O(21), one O(4), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(11), one O(12), one O(23), one O(25), one O(26), and one O(6) atom to form distorted AlO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the fourth Al site, Al(4) is bonded to one O(13), one O(14), one O(20), and one O(5) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. In the fifth Al site, Al(5) is bonded to one O(15), one O(16), one O(2), and one O(22) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the sixth Al site, Al(6) is bonded to one O(17), one O(18), one O(24), one O(27), and one O(3) atom to form distorted 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)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(2), one O(20), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(5)O4 tetrahedra, and  a cornercorner with one Al(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 31°. In the second P site, P(2) is bonded to one O(22), one O(3), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. In the third P site, P(3) is bonded to one O(10), one O(11), one O(24), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Al(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 41°. In the fourth P site, P(4) is bonded to one O(13), one O(18), one O(19), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. In the fifth P site, P(5) is bonded to one O(14), one O(15), one O(21), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(4)O4 tetrahedra, and  a cornercorner with one Al(5)O4 tetrahedra. The corner-sharing octahedral tilt angles are 13°. In the sixth P site, P(6) is bonded to one O(1), one O(16), one O(17), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O6 octahedra,  a cornercorner with one Al(5)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid, and  a cornercorner with one Al(6)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 37°. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(6) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(5) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(6) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(2) and one P(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(4) and one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Al(3) and one P(5) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(2) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Al(4) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Al(4) and one P(5) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Al(5) and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Al(5) and one P(6) atom. In the seventeenth O site, O(17) is bonded in a bent 150 degrees geometry to one Al(6) and one P(6) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Al(6) and one P(4) atom. In the nineteenth O site, O(19) is bonded in a bent 150 degrees geometry to one Al(1) and one P(4) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Al(4) and one P(1) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Al(2) and one P(5) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to one Al(5) and one P(2) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Al(3) and one P(6) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Al(6) and one P(3) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to one Al(3) atom. In the twenty-sixth O site, O(26) is bonded in a single-bond geometry to one Al(3) atom. In the twenty-seventh O site, O(27) is bonded in a water-like geometry to one Al(6) and one O(28) atom. In the twenty-eighth O site, O(28) is bonded in a bent 120 degrees geometry to one O(27) and one O(35) atom. In the twenty-ninth O site, O(29) is bonded in a single-bond geometry to one Al(1) atom. In the thirtieth O site, O(35) is bonded in a single-bond geometry to one O(28) atom. is represented by the CIF file [CIF]
data_AlPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.119
_cell_length_b   9.584
_cell_length_c   9.677
_cell_angle_alpha   94.903
_cell_angle_beta   101.616
_cell_angle_gamma   95.932
_symmetry_Int_Tables_number   1
_cell_volume   819.081
_cell_formula_units_Z   6
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  0.301  0.092  0.882  1.0
  Al  Al1  1  0.906  0.326  0.100  1.0
  Al  Al2  1  0.160  0.859  0.358  1.0
  Al  Al3  1  0.701  0.887  0.107  1.0
  Al  Al4  1  0.103  0.658  0.891  1.0
  Al  Al5  1  0.859  0.119  0.641  1.0
  P  P6  1  0.355  0.876  0.114  1.0
  P  P7  1  0.107  0.336  0.866  1.0
  P  P8  1  0.946  0.103  0.328  1.0
  P  P9  1  0.660  0.112  0.886  1.0
  P  P10  1  0.909  0.647  0.120  1.0
  P  P11  1  0.058  0.873  0.663  1.0
  O  O12  1  0.208  0.969  0.732  1.0
  O  O13  1  0.257  0.760  0.006  1.0
  O  O14  1  0.982  0.263  0.743  1.0
  O  O15  1  0.737  0.243  0.990  1.0
  O  O16  1  0.807  0.999  0.253  1.0
  O  O17  1  0.038  0.731  0.231  1.0
  O  O18  1  0.347  0.022  0.053  1.0
  O  O19  1  0.254  0.266  0.874  1.0
  O  O20  1  0.056  0.330  0.009  1.0
  O  O21  1  0.956  0.236  0.251  1.0
  O  O22  1  0.089  0.029  0.322  1.0
  O  O23  1  0.308  0.883  0.256  1.0
  O  O24  1  0.700  0.977  0.956  1.0
  O  O25  1  0.766  0.721  0.106  1.0
  O  O26  1  0.950  0.635  0.973  1.0
  O  O27  1  0.046  0.740  0.739  1.0
  O  O28  1  0.920  0.951  0.671  1.0
  O  O29  1  0.718  0.112  0.748  1.0
  O  O30  1  0.489  0.116  0.853  1.0
  O  O31  1  0.519  0.849  0.135  1.0
  O  O32  1  0.875  0.497  0.161  1.0
  O  O33  1  0.147  0.490  0.841  1.0
  O  O34  1  0.055  0.829  0.505  1.0
  O  O35  1  0.936  0.145  0.481  1.0
  O  O36  1  0.272  0.745  0.478  1.0
  O  O37  1  0.307  0.003  0.499  1.0
  O  O38  1  0.658  0.125  0.488  1.0
  O  O39  1  0.630  0.260  0.482  1.0
  O  O40  1  0.113  0.042  0.959  1.0
  O  O41  1  0.563  0.713  0.808  1.0
  O  O42  1  0.640  0.729  0.719  1.0
  O  O43  1  0.216  0.442  0.485  1.0
  O  O44  1  0.473  0.491  0.095  1.0
  O  O45  1  0.454  0.492  0.217  1.0
  O  O46  1  0.513  0.280  0.395  1.0
  O  O47  1  0.300  0.356  0.526  1.0
[/CIF]
.