The material structure described by AlPO6 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted AlO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) 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 bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Al(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   5.311
_cell_length_c   10.115
_cell_angle_alpha   58.281
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.312
_cell_formula_units_Z   4
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  0.811  0.884  0.189  1.0
  Al  Al1  1  0.689  0.884  0.689  1.0
  Al  Al2  1  0.189  0.116  0.811  1.0
  Al  Al3  1  0.311  0.116  0.311  1.0
  P  P4  1  0.147  0.725  0.185  1.0
  P  P5  1  0.353  0.725  0.685  1.0
  P  P6  1  0.853  0.275  0.815  1.0
  P  P7  1  0.647  0.275  0.315  1.0
  O  O8  1  0.189  0.902  0.261  1.0
  O  O9  1  0.311  0.902  0.761  1.0
  O  O10  1  0.811  0.098  0.739  1.0
  O  O11  1  0.689  0.098  0.239  1.0
  O  O12  1  0.207  0.876  0.020  1.0
  O  O13  1  0.293  0.876  0.520  1.0
  O  O14  1  0.793  0.124  0.980  1.0
  O  O15  1  0.707  0.124  0.480  1.0
  O  O16  1  0.698  0.592  0.217  1.0
  O  O17  1  0.802  0.592  0.717  1.0
  O  O18  1  0.302  0.408  0.783  1.0
  O  O19  1  0.198  0.408  0.283  1.0
  O  O20  1  0.985  0.724  0.179  1.0
  O  O21  1  0.515  0.724  0.679  1.0
  O  O22  1  0.015  0.276  0.821  1.0
  O  O23  1  0.485  0.276  0.321  1.0
  O  O24  1  0.448  0.842  0.308  1.0
  O  O25  1  0.052  0.842  0.808  1.0
  O  O26  1  0.552  0.158  0.692  1.0
  O  O27  1  0.948  0.158  0.192  1.0
  O  O28  1  0.384  0.261  0.108  1.0
  O  O29  1  0.116  0.261  0.608  1.0
  O  O30  1  0.616  0.739  0.892  1.0
  O  O31  1  0.884  0.739  0.392  1.0
[/CIF]
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The material structure described by AlPO6 crystallizes in the monoclinic P2_1/c space group. Al(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted AlO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Al(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) 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 bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Al(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlPO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.636
_cell_length_b   5.311
_cell_length_c   10.115
_cell_angle_alpha   58.281
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.312
_cell_formula_units_Z   4
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  0.811  0.884  0.189  1.0
  Al  Al1  1  0.689  0.884  0.689  1.0
  Al  Al2  1  0.189  0.116  0.811  1.0
  Al  Al3  1  0.311  0.116  0.311  1.0
  P  P4  1  0.147  0.725  0.185  1.0
  P  P5  1  0.353  0.725  0.685  1.0
  P  P6  1  0.853  0.275  0.815  1.0
  P  P7  1  0.647  0.275  0.315  1.0
  O  O8  1  0.189  0.902  0.261  1.0
  O  O9  1  0.311  0.902  0.761  1.0
  O  O10  1  0.811  0.098  0.739  1.0
  O  O11  1  0.689  0.098  0.239  1.0
  O  O12  1  0.207  0.876  0.020  1.0
  O  O13  1  0.293  0.876  0.520  1.0
  O  O14  1  0.793  0.124  0.980  1.0
  O  O15  1  0.707  0.124  0.480  1.0
  O  O16  1  0.698  0.592  0.217  1.0
  O  O17  1  0.802  0.592  0.717  1.0
  O  O18  1  0.302  0.408  0.783  1.0
  O  O19  1  0.198  0.408  0.283  1.0
  O  O20  1  0.985  0.724  0.179  1.0
  O  O21  1  0.515  0.724  0.679  1.0
  O  O22  1  0.015  0.276  0.821  1.0
  O  O23  1  0.485  0.276  0.321  1.0
  O  O24  1  0.448  0.842  0.308  1.0
  O  O25  1  0.052  0.842  0.808  1.0
  O  O26  1  0.552  0.158  0.692  1.0
  O  O27  1  0.948  0.158  0.192  1.0
  O  O28  1  0.384  0.261  0.108  1.0
  O  O29  1  0.116  0.261  0.608  1.0
  O  O30  1  0.616  0.739  0.892  1.0
  O  O31  1  0.884  0.739  0.392  1.0
[/CIF]
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