The compound described by AlPO4 is quartz (beta)-derived structured and crystallizes in the hexagonal P6_422 space group. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF card [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.113
_cell_length_b   5.113
_cell_length_c   11.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.837
_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  0.000  0.500  0.833  1.0
  Al  Al1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.500  0.500  0.167  1.0
  P  P3  1  0.500  0.500  0.667  1.0
  P  P4  1  0.000  0.500  0.333  1.0
  P  P5  1  0.500  1.000  1.000  1.0
  O  O6  1  0.194  0.773  0.411  1.0
  O  O7  1  0.227  0.806  0.923  1.0
  O  O8  1  0.806  0.227  0.411  1.0
  O  O9  1  0.227  0.421  0.744  1.0
  O  O10  1  0.194  0.421  0.256  1.0
  O  O11  1  0.579  0.806  0.077  1.0
  O  O12  1  0.773  0.194  0.923  1.0
  O  O13  1  0.421  0.194  0.077  1.0
  O  O14  1  0.579  0.773  0.589  1.0
  O  O15  1  0.806  0.579  0.256  1.0
  O  O16  1  0.773  0.579  0.744  1.0
  O  O17  1  0.421  0.227  0.589  1.0
[/CIF]
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The compound described by AlPO4 is quartz (beta)-derived structured and crystallizes in the hexagonal P6_422 space group. Al(1) is bonded to four equivalent O(1) atoms to form AlO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to four equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. is represented by the CIF card [CIF]
data_AlPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.113
_cell_length_b   5.113
_cell_length_c   11.254
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   254.837
_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  0.000  0.500  0.833  1.0
  Al  Al1  1  0.500  0.000  0.500  1.0
  Al  Al2  1  0.500  0.500  0.167  1.0
  P  P3  1  0.500  0.500  0.667  1.0
  P  P4  1  0.000  0.500  0.333  1.0
  P  P5  1  0.500  1.000  1.000  1.0
  O  O6  1  0.194  0.773  0.411  1.0
  O  O7  1  0.227  0.806  0.923  1.0
  O  O8  1  0.806  0.227  0.411  1.0
  O  O9  1  0.227  0.421  0.744  1.0
  O  O10  1  0.194  0.421  0.256  1.0
  O  O11  1  0.579  0.806  0.077  1.0
  O  O12  1  0.773  0.194  0.923  1.0
  O  O13  1  0.421  0.194  0.077  1.0
  O  O14  1  0.579  0.773  0.589  1.0
  O  O15  1  0.806  0.579  0.256  1.0
  O  O16  1  0.773  0.579  0.744  1.0
  O  O17  1  0.421  0.227  0.589  1.0
[/CIF]
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