The material described by LiBa2TbSnO6 crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Tb(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OBa4TbSn octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiTbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.257
_cell_length_c   6.030
_cell_angle_alpha   61.192
_cell_angle_beta   90.000
_cell_angle_gamma   118.966
_symmetry_Int_Tables_number   1
_cell_volume   166.958
_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  0.790  0.580  0.710  1.0
  Ba  Ba1  1  0.210  0.420  0.290  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.266  0.000  0.250  1.0
  O  O6  1  0.734  0.000  0.750  1.0
  O  O7  1  0.260  0.520  0.740  1.0
  O  O8  1  0.740  0.480  0.260  1.0
  O  O9  1  0.266  0.000  0.750  1.0
  O  O10  1  0.734  0.000  0.250  1.0
[/CIF]
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The material described by LiBa2TbSnO6 crystallizes in the orthorhombic Immm space group. Li(1) is bonded in a square co-planar geometry to two equivalent Ba(1) and four equivalent O(1) atoms. Ba(1) is bonded in a 9-coordinate geometry to one Li(1), four equivalent O(1), and four equivalent O(2) atoms. Tb(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TbO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. Sn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form SnO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Li(1), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. In the second O site, O(2) is bonded to four equivalent Ba(1), one Tb(1), and one Sn(1) atom to form a mixture of distorted edge and corner-sharing OBa4TbSn octahedra. The corner-sharing octahedral tilt angles range from 0-17°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2LiTbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.060
_cell_length_b   6.257
_cell_length_c   6.030
_cell_angle_alpha   61.192
_cell_angle_beta   90.000
_cell_angle_gamma   118.966
_symmetry_Int_Tables_number   1
_cell_volume   166.958
_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  0.790  0.580  0.710  1.0
  Ba  Ba1  1  0.210  0.420  0.290  1.0
  Li  Li2  1  0.500  0.000  0.000  1.0
  Tb  Tb3  1  0.000  0.000  0.000  1.0
  Sn  Sn4  1  0.500  0.000  0.500  1.0
  O  O5  1  0.266  0.000  0.250  1.0
  O  O6  1  0.734  0.000  0.750  1.0
  O  O7  1  0.260  0.520  0.740  1.0
  O  O8  1  0.740  0.480  0.260  1.0
  O  O9  1  0.266  0.000  0.750  1.0
  O  O10  1  0.734  0.000  0.250  1.0
[/CIF]
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