The crystal structure described by BaTb4SmO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Tb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing TbO6 pentagonal pyramids. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Tb(1) and one Sm(1) atom. In the third O site, O(3) is bonded in a square co-planar 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 distorted trigonal planar geometry to two equivalent Tb(1) and one Sm(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_BaTb4SmO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   6.222
_cell_length_c   8.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.560
_symmetry_Int_Tables_number   1
_cell_volume   339.375
_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  0.558  0.442  0.500  1.0
  Tb  Tb1  1  0.473  0.984  0.237  1.0
  Tb  Tb2  1  0.473  0.984  0.763  1.0
  Tb  Tb3  1  0.016  0.527  0.763  1.0
  Tb  Tb4  1  0.016  0.527  0.237  1.0
  Sm  Sm5  1  0.939  0.061  0.000  1.0
  O  O6  1  0.294  0.301  0.287  1.0
  O  O7  1  0.699  0.706  0.287  1.0
  O  O8  1  0.699  0.706  0.713  1.0
  O  O9  1  0.294  0.301  0.713  1.0
  O  O10  1  0.155  0.845  0.164  1.0
  O  O11  1  0.784  0.216  0.247  1.0
  O  O12  1  0.784  0.216  0.753  1.0
  O  O13  1  0.155  0.845  0.836  1.0
  O  O14  1  0.589  0.991  0.000  1.0
  O  O15  1  0.500  0.929  0.500  1.0
  O  O16  1  0.009  0.411  0.000  1.0
  O  O17  1  0.071  0.500  0.500  1.0
[/CIF]
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The crystal structure described by BaTb4SmO12 crystallizes in the orthorhombic Amm2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(3), four equivalent O(1), and four equivalent O(5) atoms. Tb(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(1) atoms to form distorted corner-sharing TbO6 pentagonal pyramids. Sm(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ba(1) and two equivalent Tb(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Tb(1) and one Sm(1) atom. In the third O site, O(3) is bonded in a square co-planar 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 distorted trigonal planar geometry to two equivalent Tb(1) and one Sm(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Ba(1) and two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_BaTb4SmO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.222
_cell_length_b   6.222
_cell_length_c   8.775
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   87.560
_symmetry_Int_Tables_number   1
_cell_volume   339.375
_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  0.558  0.442  0.500  1.0
  Tb  Tb1  1  0.473  0.984  0.237  1.0
  Tb  Tb2  1  0.473  0.984  0.763  1.0
  Tb  Tb3  1  0.016  0.527  0.763  1.0
  Tb  Tb4  1  0.016  0.527  0.237  1.0
  Sm  Sm5  1  0.939  0.061  0.000  1.0
  O  O6  1  0.294  0.301  0.287  1.0
  O  O7  1  0.699  0.706  0.287  1.0
  O  O8  1  0.699  0.706  0.713  1.0
  O  O9  1  0.294  0.301  0.713  1.0
  O  O10  1  0.155  0.845  0.164  1.0
  O  O11  1  0.784  0.216  0.247  1.0
  O  O12  1  0.784  0.216  0.753  1.0
  O  O13  1  0.155  0.845  0.836  1.0
  O  O14  1  0.589  0.991  0.000  1.0
  O  O15  1  0.500  0.929  0.500  1.0
  O  O16  1  0.009  0.411  0.000  1.0
  O  O17  1  0.071  0.500  0.500  1.0
[/CIF]
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