The compound described by NaTbCl4 is Baddeleyite-derived structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. Tb(1) is bonded to one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form edge-sharing TbCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Tb(1) atom. In the second Cl site, Cl(2) is bonded to two equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ClNa2Tb2 trigonal pyramids. In the third Cl site, Cl(3) is bonded to two equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ClNa2Tb2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_NaTbCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.619
_cell_length_b   6.723
_cell_length_c   6.948
_cell_angle_alpha   89.521
_cell_angle_beta   91.843
_cell_angle_gamma   101.068
_symmetry_Int_Tables_number   1
_cell_volume   303.287
_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
  Na  Na0  1  0.231  0.805  0.465  1.0
  Na  Na1  1  0.769  0.195  0.535  1.0
  Tb  Tb2  1  0.790  0.700  0.945  1.0
  Tb  Tb3  1  0.210  0.300  0.055  1.0
  Cl  Cl4  1  0.608  0.794  0.631  1.0
  Cl  Cl5  1  0.392  0.206  0.369  1.0
  Cl  Cl6  1  0.097  0.998  0.791  1.0
  Cl  Cl7  1  0.903  0.002  0.209  1.0
  Cl  Cl8  1  0.049  0.498  0.754  1.0
  Cl  Cl9  1  0.951  0.502  0.246  1.0
  Cl  Cl10  1  0.569  0.312  0.880  1.0
  Cl  Cl11  1  0.431  0.688  0.120  1.0
[/CIF]
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The compound described by NaTbCl4 is Baddeleyite-derived structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded in a 7-coordinate geometry to one Cl(4), two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. Tb(1) is bonded to one Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form edge-sharing TbCl7 pentagonal bipyramids. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Tb(1) atom. In the second Cl site, Cl(2) is bonded to two equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ClNa2Tb2 trigonal pyramids. In the third Cl site, Cl(3) is bonded to two equivalent Na(1) and two equivalent Tb(1) atoms to form a mixture of corner and edge-sharing ClNa2Tb2 tetrahedra. In the fourth Cl site, Cl(4) is bonded in a distorted trigonal non-coplanar geometry to one Na(1) and two equivalent Tb(1) atoms. is represented by the CIF file [CIF]
data_NaTbCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.619
_cell_length_b   6.723
_cell_length_c   6.948
_cell_angle_alpha   89.521
_cell_angle_beta   91.843
_cell_angle_gamma   101.068
_symmetry_Int_Tables_number   1
_cell_volume   303.287
_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
  Na  Na0  1  0.231  0.805  0.465  1.0
  Na  Na1  1  0.769  0.195  0.535  1.0
  Tb  Tb2  1  0.790  0.700  0.945  1.0
  Tb  Tb3  1  0.210  0.300  0.055  1.0
  Cl  Cl4  1  0.608  0.794  0.631  1.0
  Cl  Cl5  1  0.392  0.206  0.369  1.0
  Cl  Cl6  1  0.097  0.998  0.791  1.0
  Cl  Cl7  1  0.903  0.002  0.209  1.0
  Cl  Cl8  1  0.049  0.498  0.754  1.0
  Cl  Cl9  1  0.951  0.502  0.246  1.0
  Cl  Cl10  1  0.569  0.312  0.880  1.0
  Cl  Cl11  1  0.431  0.688  0.120  1.0
[/CIF]
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