The crystal structure described by BaDyTb2O6 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. Dy(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Tb site, Tb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(2) atoms to form distorted corner-sharing OBaTb2Dy trigonal pyramids. In the second O site, O(2) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(1) atoms to form distorted corner-sharing OBaTb2Dy trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Dy(1), one Tb(1), and one Tb(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Tb(1), and one Tb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTb2DyO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   6.173
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.845
_symmetry_Int_Tables_number   1
_cell_volume   317.427
_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
  Ba  Ba0  1  0.009  0.052  0.750  1.0
  Ba  Ba1  1  0.991  0.948  0.250  1.0
  Tb  Tb2  1  0.000  0.500  0.000  1.0
  Tb  Tb3  1  0.500  0.000  0.000  1.0
  Tb  Tb4  1  0.000  0.500  0.500  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Dy  Dy6  1  0.535  0.444  0.250  1.0
  Dy  Dy7  1  0.465  0.556  0.750  1.0
  O  O8  1  0.406  0.092  0.250  1.0
  O  O9  1  0.838  0.477  0.750  1.0
  O  O10  1  0.594  0.908  0.750  1.0
  O  O11  1  0.162  0.523  0.250  1.0
  O  O12  1  0.211  0.784  0.936  1.0
  O  O13  1  0.686  0.687  0.080  1.0
  O  O14  1  0.789  0.216  0.436  1.0
  O  O15  1  0.314  0.313  0.580  1.0
  O  O16  1  0.789  0.216  0.064  1.0
  O  O17  1  0.314  0.313  0.920  1.0
  O  O18  1  0.211  0.784  0.564  1.0
  O  O19  1  0.686  0.687  0.420  1.0
[/CIF]
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The crystal structure described by BaDyTb2O6 crystallizes in the monoclinic P2_1/m space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(4), and four equivalent O(3) atoms. Dy(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Tb site, Tb(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form corner-sharing TbO6 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(2) atoms to form distorted corner-sharing OBaTb2Dy trigonal pyramids. In the second O site, O(2) is bonded to one Ba(1), one Dy(1), and two equivalent Tb(1) atoms to form distorted corner-sharing OBaTb2Dy trigonal pyramids. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Dy(1), one Tb(1), and one Tb(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(1), one Dy(1), one Tb(1), and one Tb(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaTb2DyO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.958
_cell_length_b   6.173
_cell_length_c   8.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   88.845
_symmetry_Int_Tables_number   1
_cell_volume   317.427
_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
  Ba  Ba0  1  0.009  0.052  0.750  1.0
  Ba  Ba1  1  0.991  0.948  0.250  1.0
  Tb  Tb2  1  0.000  0.500  0.000  1.0
  Tb  Tb3  1  0.500  0.000  0.000  1.0
  Tb  Tb4  1  0.000  0.500  0.500  1.0
  Tb  Tb5  1  0.500  0.000  0.500  1.0
  Dy  Dy6  1  0.535  0.444  0.250  1.0
  Dy  Dy7  1  0.465  0.556  0.750  1.0
  O  O8  1  0.406  0.092  0.250  1.0
  O  O9  1  0.838  0.477  0.750  1.0
  O  O10  1  0.594  0.908  0.750  1.0
  O  O11  1  0.162  0.523  0.250  1.0
  O  O12  1  0.211  0.784  0.936  1.0
  O  O13  1  0.686  0.687  0.080  1.0
  O  O14  1  0.789  0.216  0.436  1.0
  O  O15  1  0.314  0.313  0.580  1.0
  O  O16  1  0.789  0.216  0.064  1.0
  O  O17  1  0.314  0.313  0.920  1.0
  O  O18  1  0.211  0.784  0.564  1.0
  O  O19  1  0.686  0.687  0.420  1.0
[/CIF]
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