The material structure described by AlPO4 is Keatite-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3) and three equivalent O(1) atoms to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2) and three equivalent O(1) atoms 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 four equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Al(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Al(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.710
_cell_length_b   9.710
_cell_length_c   9.710
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   647.280
_cell_formula_units_Z   5
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  0.750  0.750  0.750  1.0
  Al  Al1  1  0.658  0.114  0.114  1.0
  Al  Al2  1  0.114  0.658  0.114  1.0
  Al  Al3  1  0.114  0.114  0.114  1.0
  Al  Al4  1  0.114  0.114  0.658  1.0
  P  P5  1  0.885  0.885  0.344  1.0
  P  P6  1  0.885  0.344  0.885  1.0
  P  P7  1  0.885  0.885  0.885  1.0
  P  P8  1  0.344  0.885  0.885  1.0
  P  P9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.992  0.992  0.282  1.0
  O  O11  1  0.734  0.992  0.282  1.0
  O  O12  1  0.992  0.282  0.734  1.0
  O  O13  1  0.822  0.822  0.534  1.0
  O  O14  1  0.822  0.822  0.822  1.0
  O  O15  1  0.822  0.534  0.822  1.0
  O  O16  1  0.992  0.282  0.992  1.0
  O  O17  1  0.534  0.822  0.822  1.0
  O  O18  1  0.734  0.282  0.992  1.0
  O  O19  1  0.282  0.992  0.734  1.0
  O  O20  1  0.282  0.992  0.992  1.0
  O  O21  1  0.282  0.734  0.992  1.0
  O  O22  1  0.992  0.734  0.282  1.0
  O  O23  1  0.734  0.992  0.992  1.0
  O  O24  1  0.441  0.186  0.186  1.0
  O  O25  1  0.992  0.734  0.992  1.0
  O  O26  1  0.186  0.441  0.186  1.0
  O  O27  1  0.186  0.186  0.186  1.0
  O  O28  1  0.186  0.186  0.441  1.0
  O  O29  1  0.992  0.992  0.734  1.0
[/CIF]
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The material structure described by AlPO4 is Keatite-derived structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to four equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. In the second Al site, Al(2) is bonded to one O(3) and three equivalent O(1) atoms to form AlO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra and corners with three equivalent P(1)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2) and three equivalent O(1) atoms 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 four equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Al(2)O4 tetrahedra. There are three inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Al(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Al(2) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.710
_cell_length_b   9.710
_cell_length_c   9.710
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   647.280
_cell_formula_units_Z   5
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  0.750  0.750  0.750  1.0
  Al  Al1  1  0.658  0.114  0.114  1.0
  Al  Al2  1  0.114  0.658  0.114  1.0
  Al  Al3  1  0.114  0.114  0.114  1.0
  Al  Al4  1  0.114  0.114  0.658  1.0
  P  P5  1  0.885  0.885  0.344  1.0
  P  P6  1  0.885  0.344  0.885  1.0
  P  P7  1  0.885  0.885  0.885  1.0
  P  P8  1  0.344  0.885  0.885  1.0
  P  P9  1  0.250  0.250  0.250  1.0
  O  O10  1  0.992  0.992  0.282  1.0
  O  O11  1  0.734  0.992  0.282  1.0
  O  O12  1  0.992  0.282  0.734  1.0
  O  O13  1  0.822  0.822  0.534  1.0
  O  O14  1  0.822  0.822  0.822  1.0
  O  O15  1  0.822  0.534  0.822  1.0
  O  O16  1  0.992  0.282  0.992  1.0
  O  O17  1  0.534  0.822  0.822  1.0
  O  O18  1  0.734  0.282  0.992  1.0
  O  O19  1  0.282  0.992  0.734  1.0
  O  O20  1  0.282  0.992  0.992  1.0
  O  O21  1  0.282  0.734  0.992  1.0
  O  O22  1  0.992  0.734  0.282  1.0
  O  O23  1  0.734  0.992  0.992  1.0
  O  O24  1  0.441  0.186  0.186  1.0
  O  O25  1  0.992  0.734  0.992  1.0
  O  O26  1  0.186  0.441  0.186  1.0
  O  O27  1  0.186  0.186  0.186  1.0
  O  O28  1  0.186  0.186  0.441  1.0
  O  O29  1  0.992  0.992  0.734  1.0
[/CIF]
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