The material described by AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(5), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Al(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Al(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the fourth O site, O(11) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the twelfth O site, O(7) is bonded in a bent 150 degrees geometry to one Al(3) 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   8.596
_cell_length_b   8.596
_cell_length_c   13.622
_cell_angle_alpha   88.368
_cell_angle_beta   88.368
_cell_angle_gamma   34.936
_symmetry_Int_Tables_number   1
_cell_volume   576.104
_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  0.599  0.500  0.770  1.0
  Al  Al1  1  0.874  0.792  0.913  1.0
  Al  Al2  1  0.208  0.126  0.087  1.0
  Al  Al3  1  0.500  0.401  0.230  1.0
  Al  Al4  1  0.293  0.998  0.467  1.0
  Al  Al5  1  0.002  0.707  0.533  1.0
  P  P6  1  0.685  0.602  0.965  1.0
  P  P7  1  0.811  0.517  0.589  1.0
  P  P8  1  0.995  0.897  0.729  1.0
  P  P9  1  0.103  0.005  0.271  1.0
  P  P10  1  0.398  0.315  0.035  1.0
  P  P11  1  0.483  0.189  0.411  1.0
  O  O12  1  0.796  0.254  0.260  1.0
  O  O13  1  0.725  0.544  0.693  1.0
  O  O14  1  0.248  0.778  0.758  1.0
  O  O15  1  0.675  0.481  0.890  1.0
  O  O16  1  0.222  0.038  0.205  1.0
  O  O17  1  0.141  0.599  0.993  1.0
  O  O18  1  0.962  0.778  0.795  1.0
  O  O19  1  0.171  0.979  0.377  1.0
  O  O20  1  0.373  0.114  0.415  1.0
  O  O21  1  0.456  0.275  0.307  1.0
  O  O22  1  0.519  0.325  0.110  1.0
  O  O23  1  0.580  0.677  0.518  1.0
  O  O24  1  0.054  0.219  0.560  1.0
  O  O25  1  0.401  0.859  0.007  1.0
  O  O26  1  0.323  0.420  0.482  1.0
  O  O27  1  0.746  0.204  0.740  1.0
  O  O28  1  0.781  0.946  0.440  1.0
  O  O29  1  0.873  0.399  0.048  1.0
  O  O30  1  0.788  0.666  0.914  1.0
  O  O31  1  0.601  0.127  0.952  1.0
  O  O32  1  0.222  0.752  0.242  1.0
  O  O33  1  0.886  0.627  0.585  1.0
  O  O34  1  0.334  0.212  0.086  1.0
  O  O35  1  0.021  0.829  0.623  1.0
[/CIF]
.
The material described by AlPO4 is low (alpha) Cristobalite-derived structured and crystallizes in the monoclinic C2 space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(11), one O(12), one O(5), and one O(6) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. In the third Al site, Al(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form AlO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(11), one O(12), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Al(2)O4 tetrahedra. In the second P site, P(2) is bonded to one O(10), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Al(1)O4 tetrahedra and corners with three equivalent Al(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Al(2)O4 tetrahedra,  a cornercorner with one Al(3)O4 tetrahedra, and corners with two equivalent Al(1)O4 tetrahedra. There are twelve inequivalent O sites. In the first O site, O(8) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the second O site, O(9) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Al(3) and one P(2) atom. In the fourth O site, O(11) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the fifth O site, O(12) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the sixth O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the seventh O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(2) atom. In the eighth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(1) and one P(3) atom. In the ninth O site, O(4) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the tenth O site, O(5) is bonded in a bent 150 degrees geometry to one Al(2) and one P(3) atom. In the eleventh O site, O(6) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the twelfth O site, O(7) is bonded in a bent 150 degrees geometry to one Al(3) 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   8.596
_cell_length_b   8.596
_cell_length_c   13.622
_cell_angle_alpha   88.368
_cell_angle_beta   88.368
_cell_angle_gamma   34.936
_symmetry_Int_Tables_number   1
_cell_volume   576.104
_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  0.599  0.500  0.770  1.0
  Al  Al1  1  0.874  0.792  0.913  1.0
  Al  Al2  1  0.208  0.126  0.087  1.0
  Al  Al3  1  0.500  0.401  0.230  1.0
  Al  Al4  1  0.293  0.998  0.467  1.0
  Al  Al5  1  0.002  0.707  0.533  1.0
  P  P6  1  0.685  0.602  0.965  1.0
  P  P7  1  0.811  0.517  0.589  1.0
  P  P8  1  0.995  0.897  0.729  1.0
  P  P9  1  0.103  0.005  0.271  1.0
  P  P10  1  0.398  0.315  0.035  1.0
  P  P11  1  0.483  0.189  0.411  1.0
  O  O12  1  0.796  0.254  0.260  1.0
  O  O13  1  0.725  0.544  0.693  1.0
  O  O14  1  0.248  0.778  0.758  1.0
  O  O15  1  0.675  0.481  0.890  1.0
  O  O16  1  0.222  0.038  0.205  1.0
  O  O17  1  0.141  0.599  0.993  1.0
  O  O18  1  0.962  0.778  0.795  1.0
  O  O19  1  0.171  0.979  0.377  1.0
  O  O20  1  0.373  0.114  0.415  1.0
  O  O21  1  0.456  0.275  0.307  1.0
  O  O22  1  0.519  0.325  0.110  1.0
  O  O23  1  0.580  0.677  0.518  1.0
  O  O24  1  0.054  0.219  0.560  1.0
  O  O25  1  0.401  0.859  0.007  1.0
  O  O26  1  0.323  0.420  0.482  1.0
  O  O27  1  0.746  0.204  0.740  1.0
  O  O28  1  0.781  0.946  0.440  1.0
  O  O29  1  0.873  0.399  0.048  1.0
  O  O30  1  0.788  0.666  0.914  1.0
  O  O31  1  0.601  0.127  0.952  1.0
  O  O32  1  0.222  0.752  0.242  1.0
  O  O33  1  0.886  0.627  0.585  1.0
  O  O34  1  0.334  0.212  0.086  1.0
  O  O35  1  0.021  0.829  0.623  1.0
[/CIF]
.