The material described by AlPO4H2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure consists of eight 1333-74-0 atoms inside a AlPO4 framework. In the AlPO4 framework, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra 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)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear 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. is represented by the CIF card [CIF]
data_AlP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   5.276
_cell_length_c   10.471
_cell_angle_alpha   60.274
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.516
_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  0.699  0.195  0.848  1.0
  Al  Al1  1  0.301  0.805  0.152  1.0
  Al  Al2  1  0.199  0.805  0.652  1.0
  Al  Al3  1  0.801  0.195  0.348  1.0
  P  P4  1  0.344  0.150  0.803  1.0
  P  P5  1  0.656  0.850  0.197  1.0
  P  P6  1  0.844  0.850  0.697  1.0
  P  P7  1  0.156  0.150  0.303  1.0
  H  H8  1  0.136  0.461  0.954  1.0
  H  H9  1  0.864  0.539  0.046  1.0
  H  H10  1  0.636  0.539  0.546  1.0
  H  H11  1  0.364  0.461  0.454  1.0
  H  H12  1  0.020  0.382  0.651  1.0
  H  H13  1  0.980  0.618  0.349  1.0
  H  H14  1  0.520  0.618  0.849  1.0
  H  H15  1  0.480  0.382  0.151  1.0
  O  O16  1  0.272  0.453  0.737  1.0
  O  O17  1  0.728  0.547  0.263  1.0
  O  O18  1  0.772  0.547  0.763  1.0
  O  O19  1  0.228  0.453  0.237  1.0
  O  O20  1  0.513  0.182  0.803  1.0
  O  O21  1  0.487  0.818  0.197  1.0
  O  O22  1  0.013  0.818  0.697  1.0
  O  O23  1  0.987  0.182  0.303  1.0
  O  O24  1  0.286  0.954  0.961  1.0
  O  O25  1  0.714  0.046  0.039  1.0
  O  O26  1  0.786  0.046  0.539  1.0
  O  O27  1  0.214  0.954  0.461  1.0
  O  O28  1  0.305  0.011  0.709  1.0
  O  O29  1  0.695  0.989  0.291  1.0
  O  O30  1  0.805  0.989  0.791  1.0
  O  O31  1  0.195  0.011  0.209  1.0
[/CIF]
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The material described by AlPO4H2 is High (Orthorhombic) Tridymite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure consists of eight 1333-74-0 atoms inside a AlPO4 framework. In the AlPO4 framework, Al(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form AlO4 tetrahedra 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)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Al(1) and one P(1) atom. In the second O site, O(2) is bonded in a linear 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. is represented by the CIF card [CIF]
data_AlP(HO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.037
_cell_length_b   5.276
_cell_length_c   10.471
_cell_angle_alpha   60.274
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   433.516
_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  0.699  0.195  0.848  1.0
  Al  Al1  1  0.301  0.805  0.152  1.0
  Al  Al2  1  0.199  0.805  0.652  1.0
  Al  Al3  1  0.801  0.195  0.348  1.0
  P  P4  1  0.344  0.150  0.803  1.0
  P  P5  1  0.656  0.850  0.197  1.0
  P  P6  1  0.844  0.850  0.697  1.0
  P  P7  1  0.156  0.150  0.303  1.0
  H  H8  1  0.136  0.461  0.954  1.0
  H  H9  1  0.864  0.539  0.046  1.0
  H  H10  1  0.636  0.539  0.546  1.0
  H  H11  1  0.364  0.461  0.454  1.0
  H  H12  1  0.020  0.382  0.651  1.0
  H  H13  1  0.980  0.618  0.349  1.0
  H  H14  1  0.520  0.618  0.849  1.0
  H  H15  1  0.480  0.382  0.151  1.0
  O  O16  1  0.272  0.453  0.737  1.0
  O  O17  1  0.728  0.547  0.263  1.0
  O  O18  1  0.772  0.547  0.763  1.0
  O  O19  1  0.228  0.453  0.237  1.0
  O  O20  1  0.513  0.182  0.803  1.0
  O  O21  1  0.487  0.818  0.197  1.0
  O  O22  1  0.013  0.818  0.697  1.0
  O  O23  1  0.987  0.182  0.303  1.0
  O  O24  1  0.286  0.954  0.961  1.0
  O  O25  1  0.714  0.046  0.039  1.0
  O  O26  1  0.786  0.046  0.539  1.0
  O  O27  1  0.214  0.954  0.461  1.0
  O  O28  1  0.305  0.011  0.709  1.0
  O  O29  1  0.695  0.989  0.291  1.0
  O  O30  1  0.805  0.989  0.791  1.0
  O  O31  1  0.195  0.011  0.209  1.0
[/CIF]
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