The structure described by AlPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF file [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   4.942
_cell_length_c   10.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   231.745
_cell_formula_units_Z   3
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  0.466  1.000  0.333  1.0
  Al  Al1  1  1.000  0.466  0.667  1.0
  Al  Al2  1  0.534  0.534  1.000  1.0
  P  P3  1  0.466  1.000  0.833  1.0
  P  P4  1  1.000  0.466  0.167  1.0
  P  P5  1  0.534  0.534  0.500  1.0
  O  O6  1  0.259  0.415  0.117  1.0
  O  O7  1  0.585  0.844  0.450  1.0
  O  O8  1  0.156  0.741  0.783  1.0
  O  O9  1  0.844  0.585  0.550  1.0
  O  O10  1  0.741  0.156  0.217  1.0
  O  O11  1  0.415  0.259  0.883  1.0
  O  O12  1  0.416  0.294  0.397  1.0
  O  O13  1  0.706  0.123  0.731  1.0
  O  O14  1  0.877  0.584  0.064  1.0
  O  O15  1  0.123  0.706  0.269  1.0
  O  O16  1  0.584  0.877  0.936  1.0
  O  O17  1  0.294  0.416  0.603  1.0
[/CIF]
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The structure described by AlPO4 is quartz (alpha)-derived structured and crystallizes in the trigonal P3_121 space group. Al(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF file [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   4.942
_cell_length_c   10.956
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   231.745
_cell_formula_units_Z   3
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  0.466  1.000  0.333  1.0
  Al  Al1  1  1.000  0.466  0.667  1.0
  Al  Al2  1  0.534  0.534  1.000  1.0
  P  P3  1  0.466  1.000  0.833  1.0
  P  P4  1  1.000  0.466  0.167  1.0
  P  P5  1  0.534  0.534  0.500  1.0
  O  O6  1  0.259  0.415  0.117  1.0
  O  O7  1  0.585  0.844  0.450  1.0
  O  O8  1  0.156  0.741  0.783  1.0
  O  O9  1  0.844  0.585  0.550  1.0
  O  O10  1  0.741  0.156  0.217  1.0
  O  O11  1  0.415  0.259  0.883  1.0
  O  O12  1  0.416  0.294  0.397  1.0
  O  O13  1  0.706  0.123  0.731  1.0
  O  O14  1  0.877  0.584  0.064  1.0
  O  O15  1  0.123  0.706  0.269  1.0
  O  O16  1  0.584  0.877  0.936  1.0
  O  O17  1  0.294  0.416  0.603  1.0
[/CIF]
.