The material described by GaTaO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnc2 space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_TaGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   5.008
_cell_length_c   5.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.185
_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
  Ta  Ta0  1  0.000  0.000  0.820  1.0
  Ta  Ta1  1  0.500  0.000  0.320  1.0
  Ga  Ga2  1  0.000  0.500  0.170  1.0
  Ga  Ga3  1  0.500  0.500  0.670  1.0
  O  O4  1  0.773  0.168  0.115  1.0
  O  O5  1  0.773  0.677  0.890  1.0
  O  O6  1  0.727  0.677  0.390  1.0
  O  O7  1  0.727  0.168  0.615  1.0
  O  O8  1  0.273  0.323  0.390  1.0
  O  O9  1  0.273  0.832  0.615  1.0
  O  O10  1  0.227  0.832  0.115  1.0
  O  O11  1  0.227  0.323  0.890  1.0
[/CIF]
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The material described by GaTaO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pnc2 space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form distorted TaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, and edges with two equivalent Ga(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. Ga(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form GaO6 octahedra that share corners with four equivalent Ta(1)O6 octahedra, corners with four equivalent Ga(1)O6 octahedra, and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. is represented by the CIF card [CIF]
data_TaGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.671
_cell_length_b   5.008
_cell_length_c   5.651
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   132.185
_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
  Ta  Ta0  1  0.000  0.000  0.820  1.0
  Ta  Ta1  1  0.500  0.000  0.320  1.0
  Ga  Ga2  1  0.000  0.500  0.170  1.0
  Ga  Ga3  1  0.500  0.500  0.670  1.0
  O  O4  1  0.773  0.168  0.115  1.0
  O  O5  1  0.773  0.677  0.890  1.0
  O  O6  1  0.727  0.677  0.390  1.0
  O  O7  1  0.727  0.168  0.615  1.0
  O  O8  1  0.273  0.323  0.390  1.0
  O  O9  1  0.273  0.832  0.615  1.0
  O  O10  1  0.227  0.832  0.115  1.0
  O  O11  1  0.227  0.323  0.890  1.0
[/CIF]
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