The structure described by FeAl(PO4)O crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Fe(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(1) atoms. 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 trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_AlFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   7.228
_cell_length_c   10.647
_cell_angle_alpha   90.001
_cell_angle_beta   90.002
_cell_angle_gamma   98.159
_symmetry_Int_Tables_number   1
_cell_volume   423.517
_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  0.556  0.358  0.174  1.0
  Al  Al1  1  0.944  0.642  0.674  1.0
  Al  Al2  1  0.445  0.642  0.826  1.0
  Al  Al3  1  0.056  0.358  0.326  1.0
  Fe  Fe4  1  0.610  0.017  0.356  1.0
  Fe  Fe5  1  0.891  0.983  0.855  1.0
  Fe  Fe6  1  0.390  0.983  0.645  1.0
  Fe  Fe7  1  0.109  0.017  0.145  1.0
  P  P8  1  0.070  0.777  0.403  1.0
  P  P9  1  0.430  0.223  0.903  1.0
  P  P10  1  0.930  0.223  0.597  1.0
  P  P11  1  0.570  0.777  0.097  1.0
  O  O12  1  0.759  0.269  0.276  1.0
  O  O13  1  0.741  0.731  0.776  1.0
  O  O14  1  0.241  0.731  0.724  1.0
  O  O15  1  0.259  0.269  0.224  1.0
  O  O16  1  0.112  0.604  0.326  1.0
  O  O17  1  0.388  0.396  0.826  1.0
  O  O18  1  0.888  0.396  0.674  1.0
  O  O19  1  0.612  0.604  0.174  1.0
  O  O20  1  0.596  0.283  0.017  1.0
  O  O21  1  0.904  0.717  0.517  1.0
  O  O22  1  0.404  0.717  0.983  1.0
  O  O23  1  0.096  0.283  0.483  1.0
  O  O24  1  0.943  0.910  0.319  1.0
  O  O25  1  0.557  0.090  0.819  1.0
  O  O26  1  0.057  0.090  0.681  1.0
  O  O27  1  0.443  0.910  0.181  1.0
  O  O28  1  0.682  0.121  0.548  1.0
  O  O29  1  0.818  0.879  0.048  1.0
  O  O30  1  0.318  0.879  0.452  1.0
  O  O31  1  0.182  0.121  0.952  1.0
[/CIF]
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The structure described by FeAl(PO4)O crystallizes in the monoclinic P2_1/c space group. Fe(1) is bonded to one O(1), two equivalent O(4), and two equivalent O(5) atoms to form FeO5 trigonal bipyramids that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, corners with two equivalent Fe(1)O5 trigonal bipyramids, and  an edgeedge with one Fe(1)O5 trigonal bipyramid. Al(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AlO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra and corners with four equivalent Fe(1)O5 trigonal bipyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Fe(1) and two equivalent Al(1) atoms. 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 trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Fe(1) and one P(1) atom. is represented by the CIF card [CIF]
data_AlFePO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.560
_cell_length_b   7.228
_cell_length_c   10.647
_cell_angle_alpha   90.001
_cell_angle_beta   90.002
_cell_angle_gamma   98.159
_symmetry_Int_Tables_number   1
_cell_volume   423.517
_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  0.556  0.358  0.174  1.0
  Al  Al1  1  0.944  0.642  0.674  1.0
  Al  Al2  1  0.445  0.642  0.826  1.0
  Al  Al3  1  0.056  0.358  0.326  1.0
  Fe  Fe4  1  0.610  0.017  0.356  1.0
  Fe  Fe5  1  0.891  0.983  0.855  1.0
  Fe  Fe6  1  0.390  0.983  0.645  1.0
  Fe  Fe7  1  0.109  0.017  0.145  1.0
  P  P8  1  0.070  0.777  0.403  1.0
  P  P9  1  0.430  0.223  0.903  1.0
  P  P10  1  0.930  0.223  0.597  1.0
  P  P11  1  0.570  0.777  0.097  1.0
  O  O12  1  0.759  0.269  0.276  1.0
  O  O13  1  0.741  0.731  0.776  1.0
  O  O14  1  0.241  0.731  0.724  1.0
  O  O15  1  0.259  0.269  0.224  1.0
  O  O16  1  0.112  0.604  0.326  1.0
  O  O17  1  0.388  0.396  0.826  1.0
  O  O18  1  0.888  0.396  0.674  1.0
  O  O19  1  0.612  0.604  0.174  1.0
  O  O20  1  0.596  0.283  0.017  1.0
  O  O21  1  0.904  0.717  0.517  1.0
  O  O22  1  0.404  0.717  0.983  1.0
  O  O23  1  0.096  0.283  0.483  1.0
  O  O24  1  0.943  0.910  0.319  1.0
  O  O25  1  0.557  0.090  0.819  1.0
  O  O26  1  0.057  0.090  0.681  1.0
  O  O27  1  0.443  0.910  0.181  1.0
  O  O28  1  0.682  0.121  0.548  1.0
  O  O29  1  0.818  0.879  0.048  1.0
  O  O30  1  0.318  0.879  0.452  1.0
  O  O31  1  0.182  0.121  0.952  1.0
[/CIF]
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