The material described by LiBa2TbSnO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Tb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TbO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ba2LiTbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.462
_cell_length_c   6.462
_cell_angle_alpha   55.360
_cell_angle_beta   89.989
_cell_angle_gamma   117.676
_symmetry_Int_Tables_number   1
_cell_volume   170.199
_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  0.711  0.420  0.709  1.0
  Ba  Ba1  1  0.240  0.477  0.238  1.0
  Li  Li2  1  0.872  0.743  0.870  1.0
  Tb  Tb3  1  0.022  0.042  0.020  1.0
  Sn  Sn4  1  0.502  0.004  0.501  1.0
  O  O5  1  0.266  0.021  0.266  1.0
  O  O6  1  0.750  0.004  0.747  1.0
  O  O7  1  0.266  0.532  0.755  1.0
  O  O8  1  0.750  0.497  0.254  1.0
  O  O9  1  0.256  0.004  0.748  1.0
  O  O10  1  0.752  0.018  0.266  1.0
[/CIF]
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The material described by LiBa2TbSnO6 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a trigonal non-coplanar geometry to one Ba(1), one O(3), and two equivalent O(2) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one Li(1), one O(3), two equivalent O(2), two equivalent O(4), and four equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. Tb(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form distorted TbO6 octahedra that share corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. Sn(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form SnO6 octahedra that share corners with six equivalent Tb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Sn(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Li(1), one Ba(1), two equivalent Ba(2), one Tb(1), and one Sn(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Ba(2), two equivalent Ba(1), one Tb(1), and one Sn(1) atom. is represented by the CIF file [CIF]
data_Ba2LiTbSnO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.002
_cell_length_b   6.462
_cell_length_c   6.462
_cell_angle_alpha   55.360
_cell_angle_beta   89.989
_cell_angle_gamma   117.676
_symmetry_Int_Tables_number   1
_cell_volume   170.199
_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  0.711  0.420  0.709  1.0
  Ba  Ba1  1  0.240  0.477  0.238  1.0
  Li  Li2  1  0.872  0.743  0.870  1.0
  Tb  Tb3  1  0.022  0.042  0.020  1.0
  Sn  Sn4  1  0.502  0.004  0.501  1.0
  O  O5  1  0.266  0.021  0.266  1.0
  O  O6  1  0.750  0.004  0.747  1.0
  O  O7  1  0.266  0.532  0.755  1.0
  O  O8  1  0.750  0.497  0.254  1.0
  O  O9  1  0.256  0.004  0.748  1.0
  O  O10  1  0.752  0.018  0.266  1.0
[/CIF]
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