The material structure described by AlPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(11), one O(14), one O(15), and two equivalent O(8) atoms to form distorted AlO5 trigonal bipyramids that share corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded to one O(12), one O(7), one O(8), and one O(9) atom to form distorted AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent Al(2)O5 trigonal bipyramids. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(13), one O(16), and one O(4) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(12), and one O(14) atom. In the third P site, P(3) is bonded to one O(13), one O(16), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(4)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Al(4) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Al(1), one Al(4), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(4) and one O(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one O(5) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Al(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Al(3) and two equivalent Al(2) atoms. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Al(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Al(3) and one P(2) atom. In the thirteenth O site, O(13) is bonded in an L-shaped geometry to one Al(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Al(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Al(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Al(4) and one P(3) atom. is represented by the CIF card [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   9.125
_cell_length_c   9.515
_cell_angle_alpha   97.051
_cell_angle_beta   111.315
_cell_angle_gamma   93.478
_symmetry_Int_Tables_number   1
_cell_volume   686.403
_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  0.426  0.617  0.554  1.0
  Al  Al1  1  0.574  0.383  0.446  1.0
  Al  Al2  1  0.005  0.106  0.902  1.0
  Al  Al3  1  0.995  0.894  0.098  1.0
  Al  Al4  1  0.825  0.170  0.136  1.0
  Al  Al5  1  0.175  0.830  0.864  1.0
  Al  Al6  1  0.205  0.349  0.540  1.0
  Al  Al7  1  0.795  0.651  0.460  1.0
  P  P8  1  0.226  0.780  0.274  1.0
  P  P9  1  0.253  0.088  0.746  1.0
  P  P10  1  0.121  0.559  0.701  1.0
  P  P11  1  0.774  0.220  0.726  1.0
  P  P12  1  0.747  0.912  0.254  1.0
  P  P13  1  0.474  0.942  0.189  1.0
  P  P14  1  0.526  0.058  0.811  1.0
  P  P15  1  0.879  0.441  0.299  1.0
  O  O16  1  0.394  0.401  0.503  1.0
  O  O17  1  0.413  0.818  0.264  1.0
  O  O18  1  0.725  0.316  0.604  1.0
  O  O19  1  0.247  0.559  0.616  1.0
  O  O20  1  0.459  0.087  0.297  1.0
  O  O21  1  0.513  0.235  0.271  1.0
  O  O22  1  0.214  0.642  0.865  1.0
  O  O23  1  0.275  0.684  0.396  1.0
  O  O24  1  0.982  0.097  0.086  1.0
  O  O25  1  0.018  0.903  0.914  1.0
  O  O26  1  0.366  0.925  0.020  1.0
  O  O27  1  0.229  0.169  0.610  1.0
  O  O28  1  0.899  0.287  0.886  1.0
  O  O29  1  0.753  0.441  0.384  1.0
  O  O30  1  0.182  0.922  0.707  1.0
  O  O31  1  0.606  0.599  0.497  1.0
  O  O32  1  0.076  0.391  0.676  1.0
  O  O33  1  0.634  0.075  0.980  1.0
  O  O34  1  0.200  0.162  0.873  1.0
  O  O35  1  0.487  0.765  0.729  1.0
  O  O36  1  0.841  0.072  0.699  1.0
  O  O37  1  0.924  0.609  0.324  1.0
  O  O38  1  0.026  0.345  0.364  1.0
  O  O39  1  0.818  0.078  0.293  1.0
  O  O40  1  0.800  0.838  0.127  1.0
  O  O41  1  0.771  0.831  0.390  1.0
  O  O42  1  0.541  0.913  0.703  1.0
  O  O43  1  0.159  0.928  0.301  1.0
  O  O44  1  0.786  0.358  0.135  1.0
  O  O45  1  0.974  0.655  0.636  1.0
  O  O46  1  0.587  0.182  0.736  1.0
  O  O47  1  0.101  0.713  0.114  1.0
[/CIF]
.
The material structure described by AlPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), one O(6), and two equivalent O(1) atoms to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Al(4)O5 trigonal bipyramid,  an edgeedge with one Al(1)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the second Al site, Al(2) is bonded to one O(11), one O(14), one O(15), and two equivalent O(8) atoms to form distorted AlO5 trigonal bipyramids that share corners with two equivalent Al(3)O4 tetrahedra,  an edgeedge with one P(1)O4 tetrahedra, and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the third Al site, Al(3) is bonded to one O(12), one O(7), one O(8), and one O(9) atom to form distorted AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with two equivalent Al(2)O5 trigonal bipyramids. In the fourth Al site, Al(4) is bonded to one O(1), one O(10), one O(13), one O(16), and one O(4) atom to form distorted AlO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  an edgeedge with one P(3)O4 tetrahedra, and  an edgeedge with one Al(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(15), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O5 trigonal bipyramid and  an edgeedge with one Al(2)O5 trigonal bipyramid. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(12), and one O(14) atom. In the third P site, P(3) is bonded to one O(13), one O(16), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(3)O4 tetrahedra,  a cornercorner with one Al(1)O5 trigonal bipyramid,  a cornercorner with one Al(4)O5 trigonal bipyramid, and  an edgeedge with one Al(4)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded in a trigonal non-coplanar geometry to one O(2), one O(5), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a T-shaped geometry to one Al(4) and two equivalent Al(1) atoms. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(1) and one P(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Al(1), one Al(4), and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one P(4) and one O(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one O(5) atom. In the seventh O site, O(7) is bonded in a water-like geometry to one Al(3) and one P(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Al(3) and two equivalent Al(2) atoms. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(4) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Al(4) and one P(2) atom. In the eleventh O site, O(11) is bonded in an L-shaped geometry to one Al(2) and one P(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Al(3) and one P(2) atom. In the thirteenth O site, O(13) is bonded in an L-shaped geometry to one Al(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one Al(2) and one P(2) atom. In the fifteenth O site, O(15) is bonded in an L-shaped geometry to one Al(2) and one P(1) atom. In the sixteenth O site, O(16) is bonded in a distorted bent 150 degrees geometry to one Al(4) and one P(3) atom. is represented by the CIF card [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.606
_cell_length_b   9.125
_cell_length_c   9.515
_cell_angle_alpha   97.051
_cell_angle_beta   111.315
_cell_angle_gamma   93.478
_symmetry_Int_Tables_number   1
_cell_volume   686.403
_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  0.426  0.617  0.554  1.0
  Al  Al1  1  0.574  0.383  0.446  1.0
  Al  Al2  1  0.005  0.106  0.902  1.0
  Al  Al3  1  0.995  0.894  0.098  1.0
  Al  Al4  1  0.825  0.170  0.136  1.0
  Al  Al5  1  0.175  0.830  0.864  1.0
  Al  Al6  1  0.205  0.349  0.540  1.0
  Al  Al7  1  0.795  0.651  0.460  1.0
  P  P8  1  0.226  0.780  0.274  1.0
  P  P9  1  0.253  0.088  0.746  1.0
  P  P10  1  0.121  0.559  0.701  1.0
  P  P11  1  0.774  0.220  0.726  1.0
  P  P12  1  0.747  0.912  0.254  1.0
  P  P13  1  0.474  0.942  0.189  1.0
  P  P14  1  0.526  0.058  0.811  1.0
  P  P15  1  0.879  0.441  0.299  1.0
  O  O16  1  0.394  0.401  0.503  1.0
  O  O17  1  0.413  0.818  0.264  1.0
  O  O18  1  0.725  0.316  0.604  1.0
  O  O19  1  0.247  0.559  0.616  1.0
  O  O20  1  0.459  0.087  0.297  1.0
  O  O21  1  0.513  0.235  0.271  1.0
  O  O22  1  0.214  0.642  0.865  1.0
  O  O23  1  0.275  0.684  0.396  1.0
  O  O24  1  0.982  0.097  0.086  1.0
  O  O25  1  0.018  0.903  0.914  1.0
  O  O26  1  0.366  0.925  0.020  1.0
  O  O27  1  0.229  0.169  0.610  1.0
  O  O28  1  0.899  0.287  0.886  1.0
  O  O29  1  0.753  0.441  0.384  1.0
  O  O30  1  0.182  0.922  0.707  1.0
  O  O31  1  0.606  0.599  0.497  1.0
  O  O32  1  0.076  0.391  0.676  1.0
  O  O33  1  0.634  0.075  0.980  1.0
  O  O34  1  0.200  0.162  0.873  1.0
  O  O35  1  0.487  0.765  0.729  1.0
  O  O36  1  0.841  0.072  0.699  1.0
  O  O37  1  0.924  0.609  0.324  1.0
  O  O38  1  0.026  0.345  0.364  1.0
  O  O39  1  0.818  0.078  0.293  1.0
  O  O40  1  0.800  0.838  0.127  1.0
  O  O41  1  0.771  0.831  0.390  1.0
  O  O42  1  0.541  0.913  0.703  1.0
  O  O43  1  0.159  0.928  0.301  1.0
  O  O44  1  0.786  0.358  0.135  1.0
  O  O45  1  0.974  0.655  0.636  1.0
  O  O46  1  0.587  0.182  0.736  1.0
  O  O47  1  0.101  0.713  0.114  1.0
[/CIF]
.