The material structure described by TaIn3O7 crystallizes in the orthorhombic C222_1 space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent In(1)O7 pentagonal bipyramids, and edges with four equivalent In(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted InO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra,  a cornercorner with one In(1)O7 pentagonal bipyramid, edges with two equivalent Ta(1)O6 octahedra, and edges with three equivalent In(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-53°. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(2)In4 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and edges with two equivalent O(5)TaIn3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(4)In4 tetrahedra, corners with four equivalent O(2)In4 tetrahedra, corners with four equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(2)In4 tetrahedra, and edges with two equivalent O(5)TaIn3 tetrahedra. In the fifth O site, O(5) is bonded to one Ta(1), one In(2), and two equivalent In(1) atoms to form OTaIn3 tetrahedra that share corners with two equivalent O(2)In4 tetrahedra, corners with two equivalent O(4)In4 tetrahedra, corners with two equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(2)In4 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and  an edgeedge with one O(5)TaIn3 tetrahedra. is represented by the CIF card [CIF]
data_TaIn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   7.317
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.476
_symmetry_Int_Tables_number   1
_cell_volume   286.955
_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  0.010  0.010  0.500  1.0
  Ta  Ta1  1  0.990  0.990  0.000  1.0
  In  In2  1  0.479  0.001  0.256  1.0
  In  In3  1  0.999  0.521  0.244  1.0
  In  In4  1  0.455  0.455  0.000  1.0
  In  In5  1  0.545  0.545  0.500  1.0
  In  In6  1  0.521  0.999  0.756  1.0
  In  In7  1  0.001  0.479  0.744  1.0
  O  O8  1  0.944  0.056  0.750  1.0
  O  O9  1  0.642  0.358  0.750  1.0
  O  O10  1  0.318  0.048  0.533  1.0
  O  O11  1  0.952  0.682  0.967  1.0
  O  O12  1  0.627  0.373  0.250  1.0
  O  O13  1  0.920  0.669  0.519  1.0
  O  O14  1  0.331  0.080  0.981  1.0
  O  O15  1  0.080  0.331  0.019  1.0
  O  O16  1  0.669  0.920  0.481  1.0
  O  O17  1  0.373  0.627  0.750  1.0
  O  O18  1  0.682  0.952  0.033  1.0
  O  O19  1  0.048  0.318  0.467  1.0
  O  O20  1  0.358  0.642  0.250  1.0
  O  O21  1  0.056  0.944  0.250  1.0
[/CIF]
.
The material structure described by TaIn3O7 crystallizes in the orthorhombic C222_1 space group. Ta(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent In(1)O7 pentagonal bipyramids, and edges with four equivalent In(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 35°. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form distorted InO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra,  a cornercorner with one In(1)O7 pentagonal bipyramid, edges with two equivalent Ta(1)O6 octahedra, and edges with three equivalent In(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 44-53°. In the second In site, In(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Ta(1) and two equivalent In(1) atoms. In the second O site, O(2) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(2)In4 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and edges with two equivalent O(5)TaIn3 tetrahedra. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Ta(1) and two equivalent In(1) atoms. In the fourth O site, O(4) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(4)In4 tetrahedra, corners with four equivalent O(2)In4 tetrahedra, corners with four equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(2)In4 tetrahedra, and edges with two equivalent O(5)TaIn3 tetrahedra. In the fifth O site, O(5) is bonded to one Ta(1), one In(2), and two equivalent In(1) atoms to form OTaIn3 tetrahedra that share corners with two equivalent O(2)In4 tetrahedra, corners with two equivalent O(4)In4 tetrahedra, corners with two equivalent O(5)TaIn3 tetrahedra,  an edgeedge with one O(2)In4 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and  an edgeedge with one O(5)TaIn3 tetrahedra. is represented by the CIF card [CIF]
data_TaIn3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.431
_cell_length_b   6.431
_cell_length_c   7.317
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.476
_symmetry_Int_Tables_number   1
_cell_volume   286.955
_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  0.010  0.010  0.500  1.0
  Ta  Ta1  1  0.990  0.990  0.000  1.0
  In  In2  1  0.479  0.001  0.256  1.0
  In  In3  1  0.999  0.521  0.244  1.0
  In  In4  1  0.455  0.455  0.000  1.0
  In  In5  1  0.545  0.545  0.500  1.0
  In  In6  1  0.521  0.999  0.756  1.0
  In  In7  1  0.001  0.479  0.744  1.0
  O  O8  1  0.944  0.056  0.750  1.0
  O  O9  1  0.642  0.358  0.750  1.0
  O  O10  1  0.318  0.048  0.533  1.0
  O  O11  1  0.952  0.682  0.967  1.0
  O  O12  1  0.627  0.373  0.250  1.0
  O  O13  1  0.920  0.669  0.519  1.0
  O  O14  1  0.331  0.080  0.981  1.0
  O  O15  1  0.080  0.331  0.019  1.0
  O  O16  1  0.669  0.920  0.481  1.0
  O  O17  1  0.373  0.627  0.750  1.0
  O  O18  1  0.682  0.952  0.033  1.0
  O  O19  1  0.048  0.318  0.467  1.0
  O  O20  1  0.358  0.642  0.250  1.0
  O  O21  1  0.056  0.944  0.250  1.0
[/CIF]
.