data_GdAsO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.11
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   123.97
_cell_angle_beta   100.81
_cell_angle_gamma   104.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdAsO4
_chemical_formula_sum   'Gd2 As2 O8'
_cell_volume   167.03
_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  0.0  0.9  0.0  1.0
  Gd  Gd1  1  0.0  0.0  0.0  1.0
  As  As2  1  0.87  0.95  0.42  1.0
  As  As3  1  0.0  0.95  0.32  1.0
  O  O4  1  0.5  0.95  0.44  1.0
  O  O5  1  0.0  0.49  0.22  1.0
  O  O6  1  0.0  0.39  0.25  1.0
  O  O7  1  0.38  0.84  0.7  1.0
  O  O8  1  0.5  0.05  0.03  1.0
  O  O9  1  0.87  0.4  0.52  1.0
  O  O10  1  0.87  0.51  0.48  1.0
  O  O11  1  0.38  0.95  0.3  1.0

data_GdAsO4
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.74
_cell_length_b   6.11
_cell_length_c   6.11
_cell_angle_alpha   75.3
_cell_angle_beta   61.98
_cell_angle_gamma   61.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GdAsO4
_chemical_formula_sum   'Gd2 As2 O8'
_cell_volume   167.03
_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  0.0  0.0  0.0  1.0
  Gd  Gd1  1  0.1  -0.0  0.9  1.0
  As  As2  1  0.05  -0.0  0.63  1.0
  As  As3  1  0.92  0.13  0.53  1.0
  O  O4  1  0.36  0.13  0.02  1.0
  O  O5  1  0.43  0.62  0.65  1.0
  O  O6  1  0.44  0.5  0.02  1.0
  O  O7  1  0.47  0.13  0.89  1.0
  O  O8  1  0.51  0.0  0.28  1.0
  O  O9  1  0.53  0.62  0.14  1.0
  O  O10  1  0.55  0.5  0.51  1.0
  O  O11  1  0.61  0.0  0.14  1.0

Gd Gd As As O O O O O O O O
GdAsO4 crystallizes in the triclinic P1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 2-coordinate geometry to one Gd(2), one As(2), one O(5), and one O(8) atom. The Gd(1)-Gd(2) bond length is 0.64 Å. The Gd(1)-As(2) bond length is 1.77 Å. The Gd(1)-O(5) bond length is 2.87 Å. The Gd(1)-O(8) bond length is 2.47 Å. In the second Gd site, Gd(2) is bonded in a distorted bent 150 degrees geometry to one Gd(1), one As(1), one O(3), and two equivalent O(5) atoms. The Gd(2)-As(1) bond length is 3.31 Å. The Gd(2)-O(3) bond length is 1.98 Å. There is one shorter (2.92 Å) and one longer (3.21 Å) Gd(2)-O(5) bond length. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 4-coordinate geometry to one Gd(2), one As(2), one O(1), and one O(6) atom. The As(1)-As(2) bond length is 1.09 Å. The As(1)-O(1) bond length is 2.32 Å. The As(1)-O(6) bond length is 2.49 Å. In the second As site, As(2) is bonded in a 4-coordinate geometry to one Gd(1), one As(1), one O(2), and one O(8) atom. The As(2)-O(2) bond length is 2.49 Å. The As(2)-O(8) bond length is 2.32 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one As(1) and one O(8) atom. The O(1)-O(8) bond length is 1.01 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one As(2) and one O(3) atom. The O(2)-O(3) bond length is 0.77 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Gd(2) and one O(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one O(5) atom. The O(4)-O(5) bond length is 1.52 Å. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Gd(1), two equivalent Gd(2), and one O(4) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one As(1) and one O(7) atom. The O(6)-O(7) bond length is 0.77 Å. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one O(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Gd(1), one As(2), and one O(1) atom.