The structure described by GaPO4 crystallizes in the trigonal P3_121 space group. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ga(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.896
_cell_length_b   4.896
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   230.250
_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
  Ga  Ga0  1  0.545  0.545  1.000  1.0
  Ga  Ga1  1  1.000  0.455  0.667  1.0
  Ga  Ga2  1  0.455  1.000  0.333  1.0
  P  P3  1  0.545  0.545  0.500  1.0
  P  P4  1  0.000  0.455  0.167  1.0
  P  P5  1  0.455  0.000  0.833  1.0
  O  O6  1  0.274  0.408  0.129  1.0
  O  O7  1  0.592  0.867  0.462  1.0
  O  O8  1  0.133  0.726  0.796  1.0
  O  O9  1  0.867  0.592  0.538  1.0
  O  O10  1  0.726  0.133  0.204  1.0
  O  O11  1  0.408  0.274  0.871  1.0
  O  O12  1  0.408  0.321  0.392  1.0
  O  O13  1  0.679  0.087  0.726  1.0
  O  O14  1  0.913  0.592  0.059  1.0
  O  O15  1  0.087  0.679  0.274  1.0
  O  O16  1  0.592  0.913  0.941  1.0
  O  O17  1  0.321  0.408  0.608  1.0
[/CIF]
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The structure described by GaPO4 crystallizes in the trigonal P3_121 space group. Ga(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form GaO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Ga(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ga(1) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_GaPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.896
_cell_length_b   4.896
_cell_length_c   11.090
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   230.250
_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
  Ga  Ga0  1  0.545  0.545  1.000  1.0
  Ga  Ga1  1  1.000  0.455  0.667  1.0
  Ga  Ga2  1  0.455  1.000  0.333  1.0
  P  P3  1  0.545  0.545  0.500  1.0
  P  P4  1  0.000  0.455  0.167  1.0
  P  P5  1  0.455  0.000  0.833  1.0
  O  O6  1  0.274  0.408  0.129  1.0
  O  O7  1  0.592  0.867  0.462  1.0
  O  O8  1  0.133  0.726  0.796  1.0
  O  O9  1  0.867  0.592  0.538  1.0
  O  O10  1  0.726  0.133  0.204  1.0
  O  O11  1  0.408  0.274  0.871  1.0
  O  O12  1  0.408  0.321  0.392  1.0
  O  O13  1  0.679  0.087  0.726  1.0
  O  O14  1  0.913  0.592  0.059  1.0
  O  O15  1  0.087  0.679  0.274  1.0
  O  O16  1  0.592  0.913  0.941  1.0
  O  O17  1  0.321  0.408  0.608  1.0
[/CIF]
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