The structure described by Dy3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Dy(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Dy(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the second Dy site, Dy(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Dy(1)O7 pentagonal bipyramids, and edges with four equivalent Dy(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Dy(2), two equivalent Dy(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Dy(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.466
_cell_length_b   6.466
_cell_length_c   7.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   295.125
_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
  Dy  Dy0  1  0.515  0.054  0.250  1.0
  Dy  Dy1  1  0.946  0.485  0.750  1.0
  Dy  Dy2  1  0.000  0.000  0.000  1.0
  Dy  Dy3  1  0.000  0.000  0.500  1.0
  Dy  Dy4  1  0.054  0.515  0.250  1.0
  Dy  Dy5  1  0.485  0.946  0.750  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.887  0.152  0.250  1.0
  O  O9  1  0.848  0.113  0.750  1.0
  O  O10  1  0.822  0.564  0.034  1.0
  O  O11  1  0.822  0.564  0.466  1.0
  O  O12  1  0.436  0.178  0.966  1.0
  O  O13  1  0.436  0.178  0.534  1.0
  O  O14  1  0.577  0.577  0.750  1.0
  O  O15  1  0.423  0.423  0.250  1.0
  O  O16  1  0.564  0.822  0.034  1.0
  O  O17  1  0.178  0.436  0.534  1.0
  O  O18  1  0.564  0.822  0.466  1.0
  O  O19  1  0.178  0.436  0.966  1.0
  O  O20  1  0.113  0.848  0.750  1.0
  O  O21  1  0.152  0.887  0.250  1.0
[/CIF]
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The structure described by Dy3TaO7 crystallizes in the orthorhombic Cmcm space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to one O(3), two equivalent O(1), and four equivalent O(2) atoms to form distorted DyO7 pentagonal bipyramids that share corners with two equivalent Ta(1)O6 octahedra, corners with three equivalent Dy(1)O7 pentagonal bipyramids, edges with two equivalent Ta(1)O6 octahedra, and edges with two equivalent Dy(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. In the second Dy site, Dy(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Ta(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra, corners with four equivalent Dy(1)O7 pentagonal bipyramids, and edges with four equivalent Dy(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 34°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Dy(1) and two equivalent Dy(2) atoms to form a mixture of corner and edge-sharing ODy4 tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Dy(2), two equivalent Dy(1), and one Ta(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Dy(1) and two equivalent Ta(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Dy3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.466
_cell_length_b   6.466
_cell_length_c   7.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   110.329
_symmetry_Int_Tables_number   1
_cell_volume   295.125
_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
  Dy  Dy0  1  0.515  0.054  0.250  1.0
  Dy  Dy1  1  0.946  0.485  0.750  1.0
  Dy  Dy2  1  0.000  0.000  0.000  1.0
  Dy  Dy3  1  0.000  0.000  0.500  1.0
  Dy  Dy4  1  0.054  0.515  0.250  1.0
  Dy  Dy5  1  0.485  0.946  0.750  1.0
  Ta  Ta6  1  0.500  0.500  0.000  1.0
  Ta  Ta7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.887  0.152  0.250  1.0
  O  O9  1  0.848  0.113  0.750  1.0
  O  O10  1  0.822  0.564  0.034  1.0
  O  O11  1  0.822  0.564  0.466  1.0
  O  O12  1  0.436  0.178  0.966  1.0
  O  O13  1  0.436  0.178  0.534  1.0
  O  O14  1  0.577  0.577  0.750  1.0
  O  O15  1  0.423  0.423  0.250  1.0
  O  O16  1  0.564  0.822  0.034  1.0
  O  O17  1  0.178  0.436  0.534  1.0
  O  O18  1  0.564  0.822  0.466  1.0
  O  O19  1  0.178  0.436  0.966  1.0
  O  O20  1  0.113  0.848  0.750  1.0
  O  O21  1  0.152  0.887  0.250  1.0
[/CIF]
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