The material structure described by GaTaO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Ta(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 49-56°. Ga(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted 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 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   5.641
_cell_length_c   9.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.639
_cell_formula_units_Z   4
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  0.763  0.580  0.627  1.0
  Ta  Ta1  1  0.763  0.080  0.873  1.0
  Ta  Ta2  1  0.263  0.920  0.127  1.0
  Ta  Ta3  1  0.263  0.420  0.373  1.0
  Ga  Ga4  1  0.245  0.435  0.880  1.0
  Ga  Ga5  1  0.745  0.565  0.120  1.0
  Ga  Ga6  1  0.745  0.065  0.380  1.0
  Ga  Ga7  1  0.245  0.935  0.620  1.0
  O  O8  1  0.075  0.645  0.740  1.0
  O  O9  1  0.576  0.876  0.737  1.0
  O  O10  1  0.075  0.145  0.760  1.0
  O  O11  1  0.576  0.376  0.763  1.0
  O  O12  1  0.423  0.137  0.992  1.0
  O  O13  1  0.918  0.358  0.987  1.0
  O  O14  1  0.923  0.863  0.008  1.0
  O  O15  1  0.418  0.642  0.013  1.0
  O  O16  1  0.076  0.624  0.237  1.0
  O  O17  1  0.575  0.855  0.240  1.0
  O  O18  1  0.076  0.124  0.263  1.0
  O  O19  1  0.575  0.355  0.260  1.0
  O  O20  1  0.418  0.142  0.487  1.0
  O  O21  1  0.923  0.363  0.492  1.0
  O  O22  1  0.423  0.637  0.508  1.0
  O  O23  1  0.918  0.858  0.513  1.0
[/CIF]
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The material structure described by GaTaO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Ta(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) 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 49-56°. Ga(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent O(4) atoms to form distorted 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 49-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ta(1) and one Ga(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Ga(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaGaO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.004
_cell_length_b   5.641
_cell_length_c   9.376
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.639
_cell_formula_units_Z   4
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  0.763  0.580  0.627  1.0
  Ta  Ta1  1  0.763  0.080  0.873  1.0
  Ta  Ta2  1  0.263  0.920  0.127  1.0
  Ta  Ta3  1  0.263  0.420  0.373  1.0
  Ga  Ga4  1  0.245  0.435  0.880  1.0
  Ga  Ga5  1  0.745  0.565  0.120  1.0
  Ga  Ga6  1  0.745  0.065  0.380  1.0
  Ga  Ga7  1  0.245  0.935  0.620  1.0
  O  O8  1  0.075  0.645  0.740  1.0
  O  O9  1  0.576  0.876  0.737  1.0
  O  O10  1  0.075  0.145  0.760  1.0
  O  O11  1  0.576  0.376  0.763  1.0
  O  O12  1  0.423  0.137  0.992  1.0
  O  O13  1  0.918  0.358  0.987  1.0
  O  O14  1  0.923  0.863  0.008  1.0
  O  O15  1  0.418  0.642  0.013  1.0
  O  O16  1  0.076  0.624  0.237  1.0
  O  O17  1  0.575  0.855  0.240  1.0
  O  O18  1  0.076  0.124  0.263  1.0
  O  O19  1  0.575  0.355  0.260  1.0
  O  O20  1  0.418  0.142  0.487  1.0
  O  O21  1  0.923  0.363  0.492  1.0
  O  O22  1  0.423  0.637  0.508  1.0
  O  O23  1  0.918  0.858  0.513  1.0
[/CIF]
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