The material described by Dy3TaO7 crystallizes in the orthorhombic Cmme space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. 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 ODy4 tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra, and edges with four equivalent O(2)Dy3Ta tetrahedra. In the second O site, O(2) is bonded to one Dy(1), two equivalent Dy(2), and one Ta(1) atom to form ODy3Ta tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra,  an edgeedge with one O(1)Dy4 tetrahedra, edges with two equivalent O(3)Dy2Ta2 tetrahedra, and edges with two equivalent O(2)Dy3Ta tetrahedra. In the third O site, O(3) is bonded to two equivalent Dy(2) and two equivalent Ta(1) atoms to form distorted ODy2Ta2 tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra, edges with two equivalent O(3)Dy2Ta2 tetrahedra, and edges with four equivalent O(2)Dy3Ta tetrahedra. is represented by the CIF card [CIF]
data_Dy3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   5.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.417
_symmetry_Int_Tables_number   1
_cell_volume   290.409
_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  0.000  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.000  1.0
  Dy  Dy2  1  0.620  0.380  0.471  1.0
  Dy  Dy3  1  0.120  0.880  0.529  1.0
  Dy  Dy4  1  0.880  0.120  0.471  1.0
  Dy  Dy5  1  0.380  0.620  0.529  1.0
  Ta  Ta6  1  0.750  0.750  0.000  1.0
  Ta  Ta7  1  0.250  0.250  0.000  1.0
  O  O8  1  0.750  0.250  0.242  1.0
  O  O9  1  0.838  0.600  0.764  1.0
  O  O10  1  0.988  0.012  0.211  1.0
  O  O11  1  0.400  0.162  0.764  1.0
  O  O12  1  0.338  0.100  0.236  1.0
  O  O13  1  0.100  0.338  0.764  1.0
  O  O14  1  0.512  0.488  0.211  1.0
  O  O15  1  0.488  0.512  0.789  1.0
  O  O16  1  0.900  0.662  0.236  1.0
  O  O17  1  0.600  0.838  0.236  1.0
  O  O18  1  0.662  0.900  0.764  1.0
  O  O19  1  0.012  0.988  0.789  1.0
  O  O20  1  0.162  0.400  0.236  1.0
  O  O21  1  0.250  0.750  0.758  1.0
[/CIF]
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The material described by Dy3TaO7 crystallizes in the orthorhombic Cmme space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted corner-sharing DyO6 octahedra. The corner-sharing octahedral tilt angles are 70°. In the second Dy site, Dy(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(2) atoms. Ta(1) is bonded in a body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. 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 ODy4 tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra, and edges with four equivalent O(2)Dy3Ta tetrahedra. In the second O site, O(2) is bonded to one Dy(1), two equivalent Dy(2), and one Ta(1) atom to form ODy3Ta tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra,  an edgeedge with one O(1)Dy4 tetrahedra, edges with two equivalent O(3)Dy2Ta2 tetrahedra, and edges with two equivalent O(2)Dy3Ta tetrahedra. In the third O site, O(3) is bonded to two equivalent Dy(2) and two equivalent Ta(1) atoms to form distorted ODy2Ta2 tetrahedra that share corners with two equivalent O(1)Dy4 tetrahedra, corners with four equivalent O(3)Dy2Ta2 tetrahedra, corners with eight equivalent O(2)Dy3Ta tetrahedra, edges with two equivalent O(3)Dy2Ta2 tetrahedra, and edges with four equivalent O(2)Dy3Ta tetrahedra. is represented by the CIF card [CIF]
data_Dy3TaO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.148
_cell_length_b   8.148
_cell_length_c   5.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   125.417
_symmetry_Int_Tables_number   1
_cell_volume   290.409
_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  0.000  0.500  0.000  1.0
  Dy  Dy1  1  0.500  0.000  0.000  1.0
  Dy  Dy2  1  0.620  0.380  0.471  1.0
  Dy  Dy3  1  0.120  0.880  0.529  1.0
  Dy  Dy4  1  0.880  0.120  0.471  1.0
  Dy  Dy5  1  0.380  0.620  0.529  1.0
  Ta  Ta6  1  0.750  0.750  0.000  1.0
  Ta  Ta7  1  0.250  0.250  0.000  1.0
  O  O8  1  0.750  0.250  0.242  1.0
  O  O9  1  0.838  0.600  0.764  1.0
  O  O10  1  0.988  0.012  0.211  1.0
  O  O11  1  0.400  0.162  0.764  1.0
  O  O12  1  0.338  0.100  0.236  1.0
  O  O13  1  0.100  0.338  0.764  1.0
  O  O14  1  0.512  0.488  0.211  1.0
  O  O15  1  0.488  0.512  0.789  1.0
  O  O16  1  0.900  0.662  0.236  1.0
  O  O17  1  0.600  0.838  0.236  1.0
  O  O18  1  0.662  0.900  0.764  1.0
  O  O19  1  0.012  0.988  0.789  1.0
  O  O20  1  0.162  0.400  0.236  1.0
  O  O21  1  0.250  0.750  0.758  1.0
[/CIF]
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