The material structure described by BaTbNbSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. 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 Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 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 21-29°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 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 20-26°. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tb(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Tb(2), one Nb(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Tb(1), one Nb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tb(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Tb(1), one Nb(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Tb(2), one Nb(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_BaTbNbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.987
_cell_length_c   8.499
_cell_angle_alpha   89.662
_cell_angle_beta   90.094
_cell_angle_gamma   89.350
_symmetry_Int_Tables_number   1
_cell_volume   302.710
_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  0.995  0.020  0.251  1.0
  Ba  Ba1  1  0.005  0.980  0.749  1.0
  Tb  Tb2  1  0.500  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  Sn  Sn6  1  0.497  0.516  0.252  1.0
  Sn  Sn7  1  0.503  0.484  0.748  1.0
  O  O8  1  0.196  0.229  0.972  1.0
  O  O9  1  0.305  0.725  0.543  1.0
  O  O10  1  0.804  0.771  0.028  1.0
  O  O11  1  0.695  0.275  0.457  1.0
  O  O12  1  0.268  0.699  0.951  1.0
  O  O13  1  0.227  0.198  0.522  1.0
  O  O14  1  0.732  0.301  0.049  1.0
  O  O15  1  0.773  0.802  0.478  1.0
  O  O16  1  0.445  0.972  0.265  1.0
  O  O17  1  0.090  0.501  0.235  1.0
  O  O18  1  0.555  0.028  0.735  1.0
  O  O19  1  0.910  0.499  0.765  1.0
[/CIF]
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The material structure described by BaTbNbSnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 10-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), two equivalent O(5), and two equivalent O(6) 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 Nb(2)O6 octahedra and corners with four equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-27°. 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 Nb(1)O6 octahedra and corners with four equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-29°. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NbO6 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 21-29°. In the second Nb site, Nb(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form NbO6 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 20-26°. Sn(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tb(1), and one Nb(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Ba(1), one Tb(2), one Nb(2), and one Sn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), one Tb(1), one Nb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Tb(2), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one Tb(1), one Nb(2), and one Sn(1) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Tb(2), one Nb(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_BaTbNbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.950
_cell_length_b   5.987
_cell_length_c   8.499
_cell_angle_alpha   89.662
_cell_angle_beta   90.094
_cell_angle_gamma   89.350
_symmetry_Int_Tables_number   1
_cell_volume   302.710
_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  0.995  0.020  0.251  1.0
  Ba  Ba1  1  0.005  0.980  0.749  1.0
  Tb  Tb2  1  0.500  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.500  0.500  1.0
  Nb  Nb4  1  0.000  0.500  0.000  1.0
  Nb  Nb5  1  0.500  0.000  0.500  1.0
  Sn  Sn6  1  0.497  0.516  0.252  1.0
  Sn  Sn7  1  0.503  0.484  0.748  1.0
  O  O8  1  0.196  0.229  0.972  1.0
  O  O9  1  0.305  0.725  0.543  1.0
  O  O10  1  0.804  0.771  0.028  1.0
  O  O11  1  0.695  0.275  0.457  1.0
  O  O12  1  0.268  0.699  0.951  1.0
  O  O13  1  0.227  0.198  0.522  1.0
  O  O14  1  0.732  0.301  0.049  1.0
  O  O15  1  0.773  0.802  0.478  1.0
  O  O16  1  0.445  0.972  0.265  1.0
  O  O17  1  0.090  0.501  0.235  1.0
  O  O18  1  0.555  0.028  0.735  1.0
  O  O19  1  0.910  0.499  0.765  1.0
[/CIF]
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