The material structure described by AlPO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Al sites. In the first Al site, 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. In the second Al site, Al(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form 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 two equivalent Al(2)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-31°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Al(2) 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. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a linear geometry to one Al(2) and one P(1) atom. is represented by the CIF card [CIF]
data_AlPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   5.065
_cell_length_c   15.169
_cell_angle_alpha   83.843
_cell_angle_beta   83.843
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   384.687
_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  0.378  0.622  0.750  1.0
  Al  Al1  1  0.622  0.378  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.453  0.162  0.626  1.0
  P  P5  1  0.838  0.547  0.874  1.0
  P  P6  1  0.547  0.838  0.374  1.0
  P  P7  1  0.162  0.453  0.126  1.0
  O  O8  1  0.444  0.953  0.708  1.0
  O  O9  1  0.047  0.556  0.792  1.0
  O  O10  1  0.556  0.047  0.292  1.0
  O  O11  1  0.953  0.444  0.208  1.0
  O  O12  1  0.465  0.439  0.659  1.0
  O  O13  1  0.561  0.535  0.841  1.0
  O  O14  1  0.535  0.561  0.341  1.0
  O  O15  1  0.439  0.465  0.159  1.0
  O  O16  1  0.191  0.146  0.582  1.0
  O  O17  1  0.854  0.809  0.918  1.0
  O  O18  1  0.809  0.854  0.418  1.0
  O  O19  1  0.146  0.191  0.082  1.0
  O  O20  1  0.692  0.125  0.559  1.0
  O  O21  1  0.875  0.308  0.941  1.0
  O  O22  1  0.308  0.875  0.441  1.0
  O  O23  1  0.125  0.692  0.059  1.0
  O  O24  1  0.989  0.715  0.591  1.0
  O  O25  1  0.285  0.011  0.909  1.0
  O  O26  1  0.011  0.285  0.409  1.0
  O  O27  1  0.715  0.989  0.091  1.0
[/CIF]
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The material structure described by AlPO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Al sites. In the first Al site, 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. In the second Al site, Al(2) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form 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 two equivalent Al(2)O6 octahedra and corners with two equivalent Al(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 16-31°. There are five inequivalent O sites. In the first O site, O(5) is bonded in a single-bond geometry to one Al(2) 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. In the third O site, O(2) is bonded in a bent 150 degrees geometry to one Al(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Al(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a linear geometry to one Al(2) and one P(1) atom. is represented by the CIF card [CIF]
data_AlPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.065
_cell_length_b   5.065
_cell_length_c   15.169
_cell_angle_alpha   83.843
_cell_angle_beta   83.843
_cell_angle_gamma   90.009
_symmetry_Int_Tables_number   1
_cell_volume   384.687
_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  0.378  0.622  0.750  1.0
  Al  Al1  1  0.622  0.378  0.250  1.0
  Al  Al2  1  0.000  0.000  0.500  1.0
  Al  Al3  1  0.000  0.000  0.000  1.0
  P  P4  1  0.453  0.162  0.626  1.0
  P  P5  1  0.838  0.547  0.874  1.0
  P  P6  1  0.547  0.838  0.374  1.0
  P  P7  1  0.162  0.453  0.126  1.0
  O  O8  1  0.444  0.953  0.708  1.0
  O  O9  1  0.047  0.556  0.792  1.0
  O  O10  1  0.556  0.047  0.292  1.0
  O  O11  1  0.953  0.444  0.208  1.0
  O  O12  1  0.465  0.439  0.659  1.0
  O  O13  1  0.561  0.535  0.841  1.0
  O  O14  1  0.535  0.561  0.341  1.0
  O  O15  1  0.439  0.465  0.159  1.0
  O  O16  1  0.191  0.146  0.582  1.0
  O  O17  1  0.854  0.809  0.918  1.0
  O  O18  1  0.809  0.854  0.418  1.0
  O  O19  1  0.146  0.191  0.082  1.0
  O  O20  1  0.692  0.125  0.559  1.0
  O  O21  1  0.875  0.308  0.941  1.0
  O  O22  1  0.308  0.875  0.441  1.0
  O  O23  1  0.125  0.692  0.059  1.0
  O  O24  1  0.989  0.715  0.591  1.0
  O  O25  1  0.285  0.011  0.909  1.0
  O  O26  1  0.011  0.285  0.409  1.0
  O  O27  1  0.715  0.989  0.091  1.0
[/CIF]
.