The material structure described by AlPO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(11), one O(3), one O(9), and two equivalent O(5) atoms to form distorted AlO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-56°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and  a cornercorner with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-54°. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the second O site, O(12) is bonded in a linear geometry to one Al(1) and one P(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(3) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one P(2) atom. In the eleventh O site, O(9) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one P(3) atom. In the twelfth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   7.601
_cell_length_c   8.698
_cell_angle_alpha   98.369
_cell_angle_beta   104.484
_cell_angle_gamma   102.252
_symmetry_Int_Tables_number   1
_cell_volume   379.188
_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  0.238  0.312  0.581  1.0
  Al  Al1  1  0.762  0.688  0.419  1.0
  Al  Al2  1  0.532  0.105  0.790  1.0
  Al  Al3  1  0.468  0.895  0.210  1.0
  Al  Al4  1  0.016  0.701  0.978  1.0
  Al  Al5  1  0.984  0.299  0.022  1.0
  P  P6  1  0.991  0.993  0.740  1.0
  P  P7  1  0.009  0.007  0.260  1.0
  P  P8  1  0.801  0.404  0.657  1.0
  P  P9  1  0.199  0.596  0.343  1.0
  P  P10  1  0.478  0.699  0.870  1.0
  P  P11  1  0.522  0.301  0.130  1.0
  O  O12  1  0.054  0.860  0.845  1.0
  O  O13  1  0.946  0.140  0.155  1.0
  O  O14  1  0.224  0.121  0.733  1.0
  O  O15  1  0.776  0.879  0.267  1.0
  O  O16  1  0.864  0.120  0.827  1.0
  O  O17  1  0.136  0.880  0.173  1.0
  O  O18  1  0.829  0.905  0.573  1.0
  O  O19  1  0.171  0.095  0.427  1.0
  O  O20  1  0.937  0.470  0.845  1.0
  O  O21  1  0.063  0.530  0.155  1.0
  O  O22  1  0.739  0.561  0.583  1.0
  O  O23  1  0.261  0.439  0.417  1.0
  O  O24  1  0.934  0.301  0.569  1.0
  O  O25  1  0.066  0.699  0.431  1.0
  O  O26  1  0.561  0.266  0.650  1.0
  O  O27  1  0.439  0.734  0.350  1.0
  O  O28  1  0.645  0.269  0.989  1.0
  O  O29  1  0.355  0.731  0.011  1.0
  O  O30  1  0.479  0.867  0.788  1.0
  O  O31  1  0.521  0.133  0.212  1.0
  O  O32  1  0.719  0.696  0.961  1.0
  O  O33  1  0.281  0.304  0.039  1.0
  O  O34  1  0.344  0.522  0.749  1.0
  O  O35  1  0.656  0.478  0.251  1.0
[/CIF]
.
The material structure described by AlPO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(12), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(10), one O(2), one O(3), one O(8), and one O(9) atom to form AlO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Al(1)O6 octahedra, and  an edgeedge with one Al(3)O6 octahedra. In the third Al site, Al(3) is bonded to one O(1), one O(11), one O(3), one O(9), and two equivalent O(5) atoms to form distorted AlO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  an edgeedge with one Al(3)O6 octahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 23-56°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Al(3)O6 octahedra, corners with three equivalent Al(1)O6 octahedra, and  a cornercorner with one Al(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-53°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra, corners with two equivalent Al(3)O6 octahedra, and corners with two equivalent Al(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 14-54°. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Al(3) and one P(3) atom. In the second O site, O(12) is bonded in a linear geometry to one Al(1) and one P(3) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Al(3) and one P(1) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one P(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the seventh O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Al(3) and one P(2) atom. In the eighth O site, O(6) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Al(1), one Al(2), and one P(2) atom. In the eleventh O site, O(9) is bonded in a distorted trigonal planar geometry to one Al(2), one Al(3), and one P(3) atom. In the twelfth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.200
_cell_length_b   7.601
_cell_length_c   8.698
_cell_angle_alpha   98.369
_cell_angle_beta   104.484
_cell_angle_gamma   102.252
_symmetry_Int_Tables_number   1
_cell_volume   379.188
_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  0.238  0.312  0.581  1.0
  Al  Al1  1  0.762  0.688  0.419  1.0
  Al  Al2  1  0.532  0.105  0.790  1.0
  Al  Al3  1  0.468  0.895  0.210  1.0
  Al  Al4  1  0.016  0.701  0.978  1.0
  Al  Al5  1  0.984  0.299  0.022  1.0
  P  P6  1  0.991  0.993  0.740  1.0
  P  P7  1  0.009  0.007  0.260  1.0
  P  P8  1  0.801  0.404  0.657  1.0
  P  P9  1  0.199  0.596  0.343  1.0
  P  P10  1  0.478  0.699  0.870  1.0
  P  P11  1  0.522  0.301  0.130  1.0
  O  O12  1  0.054  0.860  0.845  1.0
  O  O13  1  0.946  0.140  0.155  1.0
  O  O14  1  0.224  0.121  0.733  1.0
  O  O15  1  0.776  0.879  0.267  1.0
  O  O16  1  0.864  0.120  0.827  1.0
  O  O17  1  0.136  0.880  0.173  1.0
  O  O18  1  0.829  0.905  0.573  1.0
  O  O19  1  0.171  0.095  0.427  1.0
  O  O20  1  0.937  0.470  0.845  1.0
  O  O21  1  0.063  0.530  0.155  1.0
  O  O22  1  0.739  0.561  0.583  1.0
  O  O23  1  0.261  0.439  0.417  1.0
  O  O24  1  0.934  0.301  0.569  1.0
  O  O25  1  0.066  0.699  0.431  1.0
  O  O26  1  0.561  0.266  0.650  1.0
  O  O27  1  0.439  0.734  0.350  1.0
  O  O28  1  0.645  0.269  0.989  1.0
  O  O29  1  0.355  0.731  0.011  1.0
  O  O30  1  0.479  0.867  0.788  1.0
  O  O31  1  0.521  0.133  0.212  1.0
  O  O32  1  0.719  0.696  0.961  1.0
  O  O33  1  0.281  0.304  0.039  1.0
  O  O34  1  0.344  0.522  0.749  1.0
  O  O35  1  0.656  0.478  0.251  1.0
[/CIF]
.