The material described by AlAsO4 crystallizes in the trigonal P3_121 space group. 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 As(1)O4 tetrahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one As(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   11.271
_cell_angle_alpha   90.014
_cell_angle_beta   89.985
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   246.694
_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  0.456  1.000  0.333  1.0
  Al  Al1  1  1.000  0.456  0.667  1.0
  Al  Al2  1  0.544  0.544  1.000  1.0
  As  As3  1  0.455  0.000  0.833  1.0
  As  As4  1  0.000  0.455  0.167  1.0
  As  As5  1  0.545  0.545  0.500  1.0
  O  O6  1  0.289  0.404  0.120  1.0
  O  O7  1  0.596  0.885  0.454  1.0
  O  O8  1  0.115  0.711  0.787  1.0
  O  O9  1  0.885  0.596  0.546  1.0
  O  O10  1  0.711  0.115  0.213  1.0
  O  O11  1  0.404  0.289  0.880  1.0
  O  O12  1  0.405  0.299  0.385  1.0
  O  O13  1  0.701  0.106  0.718  1.0
  O  O14  1  0.894  0.595  0.052  1.0
  O  O15  1  0.106  0.701  0.282  1.0
  O  O16  1  0.595  0.894  0.948  1.0
  O  O17  1  0.299  0.405  0.615  1.0
[/CIF]
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The material described by AlAsO4 crystallizes in the trigonal P3_121 space group. 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 As(1)O4 tetrahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with four equivalent Al(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Al(1) and one As(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Al(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.027
_cell_length_b   5.027
_cell_length_c   11.271
_cell_angle_alpha   90.014
_cell_angle_beta   89.985
_cell_angle_gamma   119.995
_symmetry_Int_Tables_number   1
_cell_volume   246.694
_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  0.456  1.000  0.333  1.0
  Al  Al1  1  1.000  0.456  0.667  1.0
  Al  Al2  1  0.544  0.544  1.000  1.0
  As  As3  1  0.455  0.000  0.833  1.0
  As  As4  1  0.000  0.455  0.167  1.0
  As  As5  1  0.545  0.545  0.500  1.0
  O  O6  1  0.289  0.404  0.120  1.0
  O  O7  1  0.596  0.885  0.454  1.0
  O  O8  1  0.115  0.711  0.787  1.0
  O  O9  1  0.885  0.596  0.546  1.0
  O  O10  1  0.711  0.115  0.213  1.0
  O  O11  1  0.404  0.289  0.880  1.0
  O  O12  1  0.405  0.299  0.385  1.0
  O  O13  1  0.701  0.106  0.718  1.0
  O  O14  1  0.894  0.595  0.052  1.0
  O  O15  1  0.106  0.701  0.282  1.0
  O  O16  1  0.595  0.894  0.948  1.0
  O  O17  1  0.299  0.405  0.615  1.0
[/CIF]
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