The crystal structure described by Bi2YTaO7 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. 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, corners with four equivalent Y(1)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-62°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. 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)Y2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Bi(2) atoms to form OY2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)Y2Bi2 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 Y(1), one Ta(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_YTaBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.705
_cell_length_b   7.705
_cell_length_c   7.705
_cell_angle_alpha   120.327
_cell_angle_beta   119.898
_cell_angle_gamma   89.806
_symmetry_Int_Tables_number   1
_cell_volume   322.858
_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
  Y  Y0  1  0.000  0.500  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Ta  Ta2  1  0.000  0.500  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.619  0.869  0.750  1.0
  O  O9  1  0.381  0.131  0.250  1.0
  O  O10  1  0.267  0.517  0.750  1.0
  O  O11  1  0.891  0.141  0.750  1.0
  O  O12  1  0.362  0.182  0.797  1.0
  O  O13  1  0.884  0.565  0.703  1.0
  O  O14  1  0.362  0.565  0.181  1.0
  O  O15  1  0.884  0.182  0.319  1.0
  O  O16  1  0.733  0.483  0.250  1.0
  O  O17  1  0.109  0.859  0.250  1.0
  O  O18  1  0.638  0.818  0.203  1.0
  O  O19  1  0.116  0.435  0.297  1.0
  O  O20  1  0.638  0.435  0.819  1.0
  O  O21  1  0.116  0.818  0.681  1.0
[/CIF]
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The crystal structure described by Bi2YTaO7 crystallizes in the orthorhombic Imma space group. Y(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form YO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-64°. 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, corners with four equivalent Y(1)O6 octahedra, and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 11-62°. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form distorted BiO6 octahedra that share corners with two equivalent Bi(1)O6 octahedra, corners with four equivalent Ta(1)O6 octahedra, and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. 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)Y2Bi2 tetrahedra, corners with four equivalent O(1)Bi4 tetrahedra, and  an edgeedge with one O(3)Y2Bi2 tetrahedra. In the second O site, O(2) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the third O site, O(3) is bonded to two equivalent Y(1) and two equivalent Bi(2) atoms to form OY2Bi2 tetrahedra that share corners with two equivalent O(1)Bi4 tetrahedra, corners with four equivalent O(3)Y2Bi2 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 Y(1), one Ta(1), one Bi(1), and one Bi(2) atom. is represented by the CIF card [CIF]
data_YTaBi2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.705
_cell_length_b   7.705
_cell_length_c   7.705
_cell_angle_alpha   120.327
_cell_angle_beta   119.898
_cell_angle_gamma   89.806
_symmetry_Int_Tables_number   1
_cell_volume   322.858
_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
  Y  Y0  1  0.000  0.500  0.000  1.0
  Y  Y1  1  0.000  0.000  0.500  1.0
  Ta  Ta2  1  0.000  0.500  0.500  1.0
  Ta  Ta3  1  0.500  0.500  0.000  1.0
  Bi  Bi4  1  0.500  0.000  0.000  1.0
  Bi  Bi5  1  0.500  0.500  0.500  1.0
  Bi  Bi6  1  0.500  0.000  0.500  1.0
  Bi  Bi7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.619  0.869  0.750  1.0
  O  O9  1  0.381  0.131  0.250  1.0
  O  O10  1  0.267  0.517  0.750  1.0
  O  O11  1  0.891  0.141  0.750  1.0
  O  O12  1  0.362  0.182  0.797  1.0
  O  O13  1  0.884  0.565  0.703  1.0
  O  O14  1  0.362  0.565  0.181  1.0
  O  O15  1  0.884  0.182  0.319  1.0
  O  O16  1  0.733  0.483  0.250  1.0
  O  O17  1  0.109  0.859  0.250  1.0
  O  O18  1  0.638  0.818  0.203  1.0
  O  O19  1  0.116  0.435  0.297  1.0
  O  O20  1  0.638  0.435  0.819  1.0
  O  O21  1  0.116  0.818  0.681  1.0
[/CIF]
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