The crystal structure described by GdAsO4 crystallizes in the orthorhombic Imma space group. Gd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GdO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Gd(1)O6 octahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Gd(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one As(1) atom. is represented by the CIF file [CIF]
data_GdAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.112
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   123.966
_cell_angle_beta   104.696
_cell_angle_gamma   100.814
_symmetry_Int_Tables_number   1
_cell_volume   167.026
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.500  0.000  0.500  1.0
  Gd  Gd1  1  0.000  0.500  0.500  1.0
  As  As2  1  0.328  0.250  0.078  1.0
  As  As3  1  0.672  0.750  0.922  1.0
  O  O4  1  0.790  0.010  0.300  1.0
  O  O5  1  0.365  0.563  0.801  1.0
  O  O6  1  0.262  0.063  0.199  1.0
  O  O7  1  0.790  0.490  0.779  1.0
  O  O8  1  0.210  0.510  0.221  1.0
  O  O9  1  0.635  0.437  0.199  1.0
  O  O10  1  0.738  0.937  0.801  1.0
  O  O11  1  0.210  0.990  0.700  1.0
[/CIF]
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The crystal structure described by GdAsO4 crystallizes in the orthorhombic Imma space group. Gd(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form GdO6 octahedra that share corners with six equivalent As(1)O4 tetrahedra and edges with two equivalent Gd(1)O6 octahedra. As(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form AsO4 tetrahedra that share corners with six equivalent Gd(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-64°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to two equivalent Gd(1) and one As(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Gd(1) and one As(1) atom. is represented by the CIF file [CIF]
data_GdAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.112
_cell_length_b   6.112
_cell_length_c   6.112
_cell_angle_alpha   123.966
_cell_angle_beta   104.696
_cell_angle_gamma   100.814
_symmetry_Int_Tables_number   1
_cell_volume   167.026
_cell_formula_units_Z   2
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
  Gd  Gd0  1  0.500  0.000  0.500  1.0
  Gd  Gd1  1  0.000  0.500  0.500  1.0
  As  As2  1  0.328  0.250  0.078  1.0
  As  As3  1  0.672  0.750  0.922  1.0
  O  O4  1  0.790  0.010  0.300  1.0
  O  O5  1  0.365  0.563  0.801  1.0
  O  O6  1  0.262  0.063  0.199  1.0
  O  O7  1  0.790  0.490  0.779  1.0
  O  O8  1  0.210  0.510  0.221  1.0
  O  O9  1  0.635  0.437  0.199  1.0
  O  O10  1  0.738  0.937  0.801  1.0
  O  O11  1  0.210  0.990  0.700  1.0
[/CIF]
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