data_Gd2GaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   6.52
_cell_angle_alpha   60.0
_cell_angle_beta   60.0
_cell_angle_gamma   60.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Gd2GaO4
_chemical_formula_sum   'Gd4 Ga2 O8'
_cell_volume   196.0
_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  Gd2  1  0.46  0.46  0.76  1.0
  Gd  Gd3  1  0.76  0.46  0.46  1.0
  Gd  Gd4  1  0.46  0.76  0.46  1.0
  Gd  Gd5  1  0.76  0.76  0.76  1.0
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Ga  Ga1  1  0.31  0.31  0.31  1.0
  O  O6  1  0.71  0.71  0.12  1.0
  O  O7  1  0.4  0.4  0.4  1.0
  O  O8  1  0.4  0.82  0.82  1.0
  O  O9  1  0.82  0.4  0.82  1.0
  O  O10  1  0.71  0.12  0.71  1.0
  O  O11  1  0.12  0.12  0.12  1.0
  O  O12  1  0.12  0.71  0.71  1.0
  O  O13  1  0.82  0.82  0.4  1.0

data_Gd2GaO4
_symmetry_space_group_name_H-M   R3m
_cell_length_a   6.52
_cell_length_b   6.52
_cell_length_c   15.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   160
_chemical_formula_structural   Gd2GaO4
_chemical_formula_sum   'Gd12 Ga6 O24'
_cell_volume   588.01
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-y, x-y, z'
  3  '-x+y, -x, z'
  4  '-y, -x, z'
  5  '-x+y, y, z'
  6  'x, x-y, z'
  7  'x+1/3, y+2/3, z+2/3'
  8  '-y+1/3, x-y+2/3, z+2/3'
  9  '-x+y+1/3, -x+2/3, z+2/3'
  10  '-y+1/3, -x+2/3, z+2/3'
  11  '-x+y+1/3, y+2/3, z+2/3'
  12  'x+1/3, x-y+2/3, z+2/3'
  13  'x+2/3, y+1/3, z+1/3'
  14  '-y+2/3, x-y+1/3, z+1/3'
  15  '-x+y+2/3, -x+1/3, z+1/3'
  16  '-y+2/3, -x+1/3, z+1/3'
  17  '-x+y+2/3, y+1/3, z+1/3'
  18  'x+2/3, x-y+1/3, z+1/3'
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  9  0.1  0.2  0.44  1.0
  Gd  Gd1  3  0.0  0.0  0.24  1.0
  Ga  Ga2  3  0.0  0.0  0.0  1.0
  Ga  Ga3  3  0.0  0.0  0.69  1.0
  O  O4  9  0.06  0.53  0.82  1.0
  O  O5  9  0.19  0.39  0.99  1.0
  O  O6  3  0.0  0.0  0.6  1.0
  O  O7  3  0.0  0.0  0.88  1.0

Gd Gd Gd Gd Ga Ga O O O O O O O O
Gd2GaO4 crystallizes in the trigonal R3m space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 9-coordinate geometry to two equivalent Gd(1), one Ga(2), one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. Both Gd(1)-Gd(1) bond lengths are 1.99 Å. The Gd(1)-Ga(2) bond length is 2.90 Å. The Gd(1)-O(2) bond length is 2.77 Å. The Gd(1)-O(4) bond length is 3.08 Å. Both Gd(1)-O(1) bond lengths are 2.04 Å. Both Gd(1)-O(3) bond lengths are 2.38 Å. In the second Gd site, Gd(2) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form GdO6 octahedra that share corners with three equivalent Ga(1)O4 trigonal pyramids. All Gd(2)-O(1) bond lengths are 2.06 Å. All Gd(2)-O(3) bond lengths are 2.06 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to one O(4) and three equivalent O(3) atoms to form GaO4 trigonal pyramids that share corners with three equivalent Gd(2)O6 octahedra. The corner-sharing octahedral tilt angles are 35°. The Ga(1)-O(4) bond length is 1.98 Å. All Ga(1)-O(3) bond lengths are 2.21 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to three equivalent Gd(1) and one O(2) atom. The Ga(2)-O(2) bond length is 1.55 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(2) and two equivalent Gd(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to three equivalent Gd(1) and one Ga(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Gd(2), two equivalent Gd(1), and one Ga(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to three equivalent Gd(1) and one Ga(1) atom.