The crystal structure described by BaDyTb2O6 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Dy(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Dy(1), and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Tb(1) atoms to form distorted OTb2Dy2 tetrahedra that share corners with four equivalent O(3)Ba2Tb2 tetrahedra, corners with six equivalent O(2)Tb2Dy2 tetrahedra, and  an edgeedge with one O(2)Tb2Dy2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ba(1) and two equivalent Tb(1) atoms to form distorted OBa2Tb2 tetrahedra that share corners with four equivalent O(2)Tb2Dy2 tetrahedra, corners with six equivalent O(3)Ba2Tb2 tetrahedra, and  an edgeedge with one O(3)Ba2Tb2 tetrahedra. is represented by the CIF file [CIF]
data_BaTb2DyO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.372
_cell_length_b   6.062
_cell_length_c   6.062
_cell_angle_alpha   89.557
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.667
_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
  Ba  Ba0  1  0.500  0.000  0.000  1.0
  Tb  Tb1  1  0.000  0.000  0.500  1.0
  Tb  Tb2  1  0.000  0.500  0.000  1.0
  Dy  Dy3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.351  0.649  1.0
  O  O7  1  0.000  0.649  0.351  1.0
  O  O8  1  0.000  0.822  0.822  1.0
  O  O9  1  0.000  0.178  0.178  1.0
[/CIF]
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The crystal structure described by BaDyTb2O6 crystallizes in the orthorhombic Cmmm space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(3) atoms. Dy(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Dy(1), and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded to two equivalent Dy(1) and two equivalent Tb(1) atoms to form distorted OTb2Dy2 tetrahedra that share corners with four equivalent O(3)Ba2Tb2 tetrahedra, corners with six equivalent O(2)Tb2Dy2 tetrahedra, and  an edgeedge with one O(2)Tb2Dy2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Ba(1) and two equivalent Tb(1) atoms to form distorted OBa2Tb2 tetrahedra that share corners with four equivalent O(2)Tb2Dy2 tetrahedra, corners with six equivalent O(3)Ba2Tb2 tetrahedra, and  an edgeedge with one O(3)Ba2Tb2 tetrahedra. is represented by the CIF file [CIF]
data_BaTb2DyO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.372
_cell_length_b   6.062
_cell_length_c   6.062
_cell_angle_alpha   89.557
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.667
_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
  Ba  Ba0  1  0.500  0.000  0.000  1.0
  Tb  Tb1  1  0.000  0.000  0.500  1.0
  Tb  Tb2  1  0.000  0.500  0.000  1.0
  Dy  Dy3  1  0.500  0.500  0.500  1.0
  O  O4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.500  0.500  0.000  1.0
  O  O6  1  0.000  0.351  0.649  1.0
  O  O7  1  0.000  0.649  0.351  1.0
  O  O8  1  0.000  0.822  0.822  1.0
  O  O9  1  0.000  0.178  0.178  1.0
[/CIF]
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