The material structure described by Bi3TaO7 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 5-coordinate geometry to one O(1), one O(6), two equivalent O(5), and three equivalent O(2) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), one O(4), and three equivalent O(7) atoms to form corner-sharing BiO5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(4), and three equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ta(1) and three equivalent Bi(2) atoms to form distorted OTaBi3 tetrahedra that share  a cornercorner with one O(6)TaBi3 tetrahedra, corners with three equivalent O(3)Bi4 tetrahedra, corners with three equivalent O(2)Ta3Bi tetrahedra, corners with six equivalent O(1)TaBi3 tetrahedra, and edges with three equivalent O(3)Bi4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Ta(1) and one Bi(3) atom to form distorted OTa3Bi tetrahedra that share corners with three equivalent O(4)Bi4 tetrahedra, corners with three equivalent O(1)TaBi3 tetrahedra, corners with six equivalent O(2)Ta3Bi tetrahedra, and edges with three equivalent O(6)TaBi3 tetrahedra. In the third O site, O(3) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(4)Bi4 tetrahedra, corners with three equivalent O(1)TaBi3 tetrahedra, corners with six equivalent O(3)Bi4 tetrahedra, and edges with three equivalent O(1)TaBi3 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1) and three equivalent Bi(3) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(3)Bi4 tetrahedra, corners with three equivalent O(2)Ta3Bi tetrahedra, corners with three equivalent O(6)TaBi3 tetrahedra, corners with six equivalent O(4)Bi4 tetrahedra, and edges with three equivalent O(6)TaBi3 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Ta(1) and three equivalent Bi(3) atoms to form distorted OTaBi3 tetrahedra that share  a cornercorner with one O(1)TaBi3 tetrahedra, corners with three equivalent O(4)Bi4 tetrahedra, corners with six equivalent O(6)TaBi3 tetrahedra, edges with three equivalent O(4)Bi4 tetrahedra, and edges with three equivalent O(2)Ta3Bi tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_TaBi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   3.935
_cell_length_c   12.903
_cell_angle_alpha   80.912
_cell_angle_beta   80.912
_cell_angle_gamma   57.251
_symmetry_Int_Tables_number   1
_cell_volume   165.319
_cell_formula_units_Z   1
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  0.453  0.453  0.506  1.0
  Bi  Bi1  1  0.995  0.995  0.015  1.0
  Bi  Bi2  1  0.750  0.750  0.738  1.0
  Bi  Bi3  1  0.245  0.245  0.274  1.0
  O  O4  1  0.467  0.467  0.660  1.0
  O  O5  1  0.185  0.185  0.470  1.0
  O  O6  1  0.076  0.076  0.825  1.0
  O  O7  1  0.940  0.940  0.197  1.0
  O  O8  1  0.838  0.838  0.545  1.0
  O  O9  1  0.547  0.547  0.353  1.0
  O  O10  1  0.316  0.316  0.030  1.0
[/CIF]
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The material structure described by Bi3TaO7 crystallizes in the monoclinic Cm space group. Ta(1) is bonded in a 5-coordinate geometry to one O(1), one O(6), two equivalent O(5), and three equivalent O(2) atoms. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(3), one O(4), and three equivalent O(7) atoms to form corner-sharing BiO5 trigonal bipyramids. In the second Bi site, Bi(2) is bonded in a 7-coordinate geometry to one O(5), three equivalent O(1), and three equivalent O(3) atoms. In the third Bi site, Bi(3) is bonded in a 7-coordinate geometry to one O(2), three equivalent O(4), and three equivalent O(6) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Ta(1) and three equivalent Bi(2) atoms to form distorted OTaBi3 tetrahedra that share  a cornercorner with one O(6)TaBi3 tetrahedra, corners with three equivalent O(3)Bi4 tetrahedra, corners with three equivalent O(2)Ta3Bi tetrahedra, corners with six equivalent O(1)TaBi3 tetrahedra, and edges with three equivalent O(3)Bi4 tetrahedra. In the second O site, O(2) is bonded to three equivalent Ta(1) and one Bi(3) atom to form distorted OTa3Bi tetrahedra that share corners with three equivalent O(4)Bi4 tetrahedra, corners with three equivalent O(1)TaBi3 tetrahedra, corners with six equivalent O(2)Ta3Bi tetrahedra, and edges with three equivalent O(6)TaBi3 tetrahedra. In the third O site, O(3) is bonded to one Bi(1) and three equivalent Bi(2) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(4)Bi4 tetrahedra, corners with three equivalent O(1)TaBi3 tetrahedra, corners with six equivalent O(3)Bi4 tetrahedra, and edges with three equivalent O(1)TaBi3 tetrahedra. In the fourth O site, O(4) is bonded to one Bi(1) and three equivalent Bi(3) atoms to form OBi4 tetrahedra that share  a cornercorner with one O(3)Bi4 tetrahedra, corners with three equivalent O(2)Ta3Bi tetrahedra, corners with three equivalent O(6)TaBi3 tetrahedra, corners with six equivalent O(4)Bi4 tetrahedra, and edges with three equivalent O(6)TaBi3 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ta(1) and one Bi(2) atom. In the sixth O site, O(6) is bonded to one Ta(1) and three equivalent Bi(3) atoms to form distorted OTaBi3 tetrahedra that share  a cornercorner with one O(1)TaBi3 tetrahedra, corners with three equivalent O(4)Bi4 tetrahedra, corners with six equivalent O(6)TaBi3 tetrahedra, edges with three equivalent O(4)Bi4 tetrahedra, and edges with three equivalent O(2)Ta3Bi tetrahedra. In the seventh O site, O(7) is bonded in a trigonal planar geometry to three equivalent Bi(1) atoms. is represented by the CIF card [CIF]
data_TaBi3O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.935
_cell_length_b   3.935
_cell_length_c   12.903
_cell_angle_alpha   80.912
_cell_angle_beta   80.912
_cell_angle_gamma   57.251
_symmetry_Int_Tables_number   1
_cell_volume   165.319
_cell_formula_units_Z   1
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  0.453  0.453  0.506  1.0
  Bi  Bi1  1  0.995  0.995  0.015  1.0
  Bi  Bi2  1  0.750  0.750  0.738  1.0
  Bi  Bi3  1  0.245  0.245  0.274  1.0
  O  O4  1  0.467  0.467  0.660  1.0
  O  O5  1  0.185  0.185  0.470  1.0
  O  O6  1  0.076  0.076  0.825  1.0
  O  O7  1  0.940  0.940  0.197  1.0
  O  O8  1  0.838  0.838  0.545  1.0
  O  O9  1  0.547  0.547  0.353  1.0
  O  O10  1  0.316  0.316  0.030  1.0
[/CIF]
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