The compound described by InTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with eight equivalent In(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_TaInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   5.178
_cell_length_c   5.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.281
_symmetry_Int_Tables_number   1
_cell_volume   145.802
_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  0.250  0.827  1.0
  Ta  Ta1  1  0.000  0.750  0.173  1.0
  In  In2  1  0.500  0.250  0.323  1.0
  In  In3  1  0.500  0.750  0.677  1.0
  O  O4  1  0.260  0.400  0.621  1.0
  O  O5  1  0.740  0.100  0.621  1.0
  O  O6  1  0.740  0.600  0.379  1.0
  O  O7  1  0.260  0.900  0.379  1.0
  O  O8  1  0.214  0.436  0.103  1.0
  O  O9  1  0.786  0.064  0.103  1.0
  O  O10  1  0.786  0.564  0.897  1.0
  O  O11  1  0.214  0.936  0.897  1.0
[/CIF]
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The compound described by InTaO4 is Hydrophilite-derived structured and crystallizes in the monoclinic P2/c space group. Ta(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted TaO6 octahedra that share corners with eight equivalent In(1)O6 octahedra and edges with two equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. In(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form InO6 octahedra that share corners with eight equivalent Ta(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. There are two inequivalent O sites. In the first O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ta(1) and one In(1) atom. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to one Ta(1) and two equivalent In(1) atoms. is represented by the CIF card [CIF]
data_TaInO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.845
_cell_length_b   5.178
_cell_length_c   5.814
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   91.281
_symmetry_Int_Tables_number   1
_cell_volume   145.802
_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  0.250  0.827  1.0
  Ta  Ta1  1  0.000  0.750  0.173  1.0
  In  In2  1  0.500  0.250  0.323  1.0
  In  In3  1  0.500  0.750  0.677  1.0
  O  O4  1  0.260  0.400  0.621  1.0
  O  O5  1  0.740  0.100  0.621  1.0
  O  O6  1  0.740  0.600  0.379  1.0
  O  O7  1  0.260  0.900  0.379  1.0
  O  O8  1  0.214  0.436  0.103  1.0
  O  O9  1  0.786  0.064  0.103  1.0
  O  O10  1  0.786  0.564  0.897  1.0
  O  O11  1  0.214  0.936  0.897  1.0
[/CIF]
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