The material described by BaSrTbSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaSrTbSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.977
_cell_length_c   8.444
_cell_angle_alpha   90.225
_cell_angle_beta   89.801
_cell_angle_gamma   89.796
_symmetry_Int_Tables_number   1
_cell_volume   301.582
_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  0.996  0.015  0.250  1.0
  Ba  Ba1  1  0.004  0.985  0.750  1.0
  Sr  Sr2  1  0.503  0.525  0.251  1.0
  Sr  Sr3  1  0.497  0.475  0.749  1.0
  Tb  Tb4  1  0.500  0.000  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.000  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.213  0.242  0.972  1.0
  O  O9  1  0.295  0.734  0.532  1.0
  O  O10  1  0.787  0.758  0.028  1.0
  O  O11  1  0.705  0.266  0.468  1.0
  O  O12  1  0.263  0.708  0.966  1.0
  O  O13  1  0.242  0.214  0.524  1.0
  O  O14  1  0.737  0.292  0.034  1.0
  O  O15  1  0.758  0.786  0.476  1.0
  O  O16  1  0.453  0.977  0.264  1.0
  O  O17  1  0.066  0.500  0.235  1.0
  O  O18  1  0.547  0.023  0.736  1.0
  O  O19  1  0.934  0.500  0.765  1.0
[/CIF]
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The material described by BaSrTbSbO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. Sr(1) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(6), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form TbO6 octahedra that share corners with two equivalent Sb(2)O6 octahedra and corners with four equivalent Sb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-20°. In the second Tb site, Tb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form TbO6 octahedra that share corners with two equivalent Sb(1)O6 octahedra and corners with four equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form SbO6 octahedra that share corners with two equivalent Tb(2)O6 octahedra and corners with four equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-21°. In the second Sb site, Sb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form SbO6 octahedra that share corners with two equivalent Tb(1)O6 octahedra and corners with four equivalent Tb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Sb(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(2), and one Sb(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to two equivalent Ba(1), two equivalent Sr(1), one Tb(1), and one Sb(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Sb(2) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(1), and one Sb(2) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sr(1), one Tb(2), and one Sb(1) atom. is represented by the CIF card [CIF]
data_BaSrTbSbO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.976
_cell_length_b   5.977
_cell_length_c   8.444
_cell_angle_alpha   90.225
_cell_angle_beta   89.801
_cell_angle_gamma   89.796
_symmetry_Int_Tables_number   1
_cell_volume   301.582
_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  0.996  0.015  0.250  1.0
  Ba  Ba1  1  0.004  0.985  0.750  1.0
  Sr  Sr2  1  0.503  0.525  0.251  1.0
  Sr  Sr3  1  0.497  0.475  0.749  1.0
  Tb  Tb4  1  0.500  0.000  0.000  1.0
  Tb  Tb5  1  0.000  0.500  0.500  1.0
  Sb  Sb6  1  0.000  0.500  0.000  1.0
  Sb  Sb7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.213  0.242  0.972  1.0
  O  O9  1  0.295  0.734  0.532  1.0
  O  O10  1  0.787  0.758  0.028  1.0
  O  O11  1  0.705  0.266  0.468  1.0
  O  O12  1  0.263  0.708  0.966  1.0
  O  O13  1  0.242  0.214  0.524  1.0
  O  O14  1  0.737  0.292  0.034  1.0
  O  O15  1  0.758  0.786  0.476  1.0
  O  O16  1  0.453  0.977  0.264  1.0
  O  O17  1  0.066  0.500  0.235  1.0
  O  O18  1  0.547  0.023  0.736  1.0
  O  O19  1  0.934  0.500  0.765  1.0
[/CIF]
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