The structure described by Bi2InTaO7 crystallizes in the orthorhombic Imma space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)In2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)In2Bi2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)In2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ta(1), one In(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_TaInBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   120.459
_cell_angle_beta   119.878
_cell_angle_gamma   89.709
_symmetry_Int_Tables_number   1
_cell_volume   313.144
_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  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.380  0.630  0.750  1.0
  O  O9  1  0.620  0.370  0.250  1.0
  O  O10  1  0.292  0.042  0.250  1.0
  O  O11  1  0.900  0.650  0.250  1.0
  O  O12  1  0.351  0.679  0.282  1.0
  O  O13  1  0.897  0.068  0.218  1.0
  O  O14  1  0.351  0.068  0.671  1.0
  O  O15  1  0.897  0.679  0.829  1.0
  O  O16  1  0.708  0.958  0.750  1.0
  O  O17  1  0.100  0.350  0.750  1.0
  O  O18  1  0.649  0.321  0.718  1.0
  O  O19  1  0.103  0.932  0.782  1.0
  O  O20  1  0.649  0.932  0.329  1.0
  O  O21  1  0.103  0.321  0.171  1.0
[/CIF]
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The structure described by Bi2InTaO7 crystallizes in the orthorhombic Imma space group. Ta(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. In(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-60°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(4) atoms. In the second Bi site, Bi(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form OBi4 tetrahedra that share corners with two equivalent O(3)In2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)In2Bi2 tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent In(1) and two equivalent Bi(2) atoms to form OIn2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)In2Bi2 tetrahedra, and  an edgeedge with one O(1)Bi4 tetrahedra. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ta(1), one In(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_TaInBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.629
_cell_length_b   7.629
_cell_length_c   7.629
_cell_angle_alpha   120.459
_cell_angle_beta   119.878
_cell_angle_gamma   89.709
_symmetry_Int_Tables_number   1
_cell_volume   313.144
_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  0.000  1.0
  Ta  Ta1  1  0.500  0.000  0.500  1.0
  In  In2  1  0.000  0.000  0.500  1.0
  In  In3  1  0.000  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.500  0.500  1.0
  Bi  Bi5  1  0.500  0.000  0.000  1.0
  Bi  Bi6  1  0.500  0.500  0.000  1.0
  Bi  Bi7  1  0.000  0.500  0.500  1.0
  O  O8  1  0.380  0.630  0.750  1.0
  O  O9  1  0.620  0.370  0.250  1.0
  O  O10  1  0.292  0.042  0.250  1.0
  O  O11  1  0.900  0.650  0.250  1.0
  O  O12  1  0.351  0.679  0.282  1.0
  O  O13  1  0.897  0.068  0.218  1.0
  O  O14  1  0.351  0.068  0.671  1.0
  O  O15  1  0.897  0.679  0.829  1.0
  O  O16  1  0.708  0.958  0.750  1.0
  O  O17  1  0.100  0.350  0.750  1.0
  O  O18  1  0.649  0.321  0.718  1.0
  O  O19  1  0.103  0.932  0.782  1.0
  O  O20  1  0.649  0.932  0.329  1.0
  O  O21  1  0.103  0.321  0.171  1.0
[/CIF]
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