The compound described by GdTaO4 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OGd2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_GdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.088
_cell_length_b   5.410
_cell_length_c   6.565
_cell_angle_alpha   111.966
_cell_angle_beta   110.308
_cell_angle_gamma   95.621
_symmetry_Int_Tables_number   1
_cell_volume   151.708
_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  0.382  0.632  0.264  1.0
  Gd  Gd1  1  0.618  0.368  0.736  1.0
  Ta  Ta2  1  0.850  0.100  0.200  1.0
  Ta  Ta3  1  0.150  0.900  0.800  1.0
  O  O4  1  0.002  0.792  0.063  1.0
  O  O5  1  0.561  0.270  0.063  1.0
  O  O6  1  0.998  0.208  0.937  1.0
  O  O7  1  0.439  0.730  0.937  1.0
  O  O8  1  0.203  0.364  0.418  1.0
  O  O9  1  0.715  0.054  0.418  1.0
  O  O10  1  0.797  0.636  0.582  1.0
  O  O11  1  0.285  0.946  0.582  1.0
[/CIF]
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The compound described by GdTaO4 crystallizes in the monoclinic C2/c space group. Gd(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Ta(1) atoms to form a mixture of distorted corner and edge-sharing OGd2Ta2 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Gd(1) and one Ta(1) atom. is represented by the CIF card [CIF]
data_GdTaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.088
_cell_length_b   5.410
_cell_length_c   6.565
_cell_angle_alpha   111.966
_cell_angle_beta   110.308
_cell_angle_gamma   95.621
_symmetry_Int_Tables_number   1
_cell_volume   151.708
_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  0.382  0.632  0.264  1.0
  Gd  Gd1  1  0.618  0.368  0.736  1.0
  Ta  Ta2  1  0.850  0.100  0.200  1.0
  Ta  Ta3  1  0.150  0.900  0.800  1.0
  O  O4  1  0.002  0.792  0.063  1.0
  O  O5  1  0.561  0.270  0.063  1.0
  O  O6  1  0.998  0.208  0.937  1.0
  O  O7  1  0.439  0.730  0.937  1.0
  O  O8  1  0.203  0.364  0.418  1.0
  O  O9  1  0.715  0.054  0.418  1.0
  O  O10  1  0.797  0.636  0.582  1.0
  O  O11  1  0.285  0.946  0.582  1.0
[/CIF]
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