The material structure described by BaTb2SmO6 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Tb(1) is bonded to one O(1), one 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 21-52°. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Sm(1) atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Tb(1), and one Sm(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Tb(1) and two equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_BaTb2SmO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.992
_cell_length_b   6.201
_cell_length_c   8.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.351
_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  0.748  0.976  0.500  1.0
  Ba  Ba1  1  0.252  0.476  0.500  1.0
  Tb  Tb2  1  0.743  0.512  0.761  1.0
  Tb  Tb3  1  0.257  0.012  0.761  1.0
  Tb  Tb4  1  0.743  0.512  0.239  1.0
  Tb  Tb5  1  0.257  0.012  0.239  1.0
  Sm  Sm6  1  0.237  0.573  0.000  1.0
  Sm  Sm7  1  0.763  0.073  0.000  1.0
  O  O8  1  0.401  0.932  0.000  1.0
  O  O9  1  0.807  0.536  0.500  1.0
  O  O10  1  0.193  0.036  0.500  1.0
  O  O11  1  0.599  0.432  0.000  1.0
  O  O12  1  0.590  0.175  0.735  1.0
  O  O13  1  0.046  0.304  0.837  1.0
  O  O14  1  0.954  0.804  0.163  1.0
  O  O15  1  0.410  0.675  0.265  1.0
  O  O16  1  0.954  0.804  0.837  1.0
  O  O17  1  0.410  0.675  0.735  1.0
  O  O18  1  0.590  0.175  0.265  1.0
  O  O19  1  0.046  0.304  0.163  1.0
[/CIF]
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The material structure described by BaTb2SmO6 crystallizes in the orthorhombic Pmc2_1 space group. Ba(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Tb(1) is bonded to one O(1), one 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 21-52°. Sm(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Sm(1) atoms to form distorted corner-sharing OTb2Sm2 trigonal pyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Tb(1), and one Sm(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Tb(1) and two equivalent Sm(1) atoms. is represented by the CIF file [CIF]
data_BaTb2SmO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.992
_cell_length_b   6.201
_cell_length_c   8.649
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.351
_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  0.748  0.976  0.500  1.0
  Ba  Ba1  1  0.252  0.476  0.500  1.0
  Tb  Tb2  1  0.743  0.512  0.761  1.0
  Tb  Tb3  1  0.257  0.012  0.761  1.0
  Tb  Tb4  1  0.743  0.512  0.239  1.0
  Tb  Tb5  1  0.257  0.012  0.239  1.0
  Sm  Sm6  1  0.237  0.573  0.000  1.0
  Sm  Sm7  1  0.763  0.073  0.000  1.0
  O  O8  1  0.401  0.932  0.000  1.0
  O  O9  1  0.807  0.536  0.500  1.0
  O  O10  1  0.193  0.036  0.500  1.0
  O  O11  1  0.599  0.432  0.000  1.0
  O  O12  1  0.590  0.175  0.735  1.0
  O  O13  1  0.046  0.304  0.837  1.0
  O  O14  1  0.954  0.804  0.163  1.0
  O  O15  1  0.410  0.675  0.265  1.0
  O  O16  1  0.954  0.804  0.837  1.0
  O  O17  1  0.410  0.675  0.735  1.0
  O  O18  1  0.590  0.175  0.265  1.0
  O  O19  1  0.046  0.304  0.163  1.0
[/CIF]
.