The material structure described by Ta3Tl2Cl9 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Cl(4), two equivalent Cl(3), and two equivalent Cl(6) atoms to form distorted corner-sharing TaCl5 square pyramids. In the second Ta site, Ta(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. Tl(1) is bonded in a 4-coordinate geometry to one Cl(4) and three equivalent Cl(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(5) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the second Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the third Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the fourth Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ta(2) and three equivalent Tl(1) atoms. In the fifth Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the sixth Cl site, Cl(4) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_Ta3Tl2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.792
_cell_length_b   9.792
_cell_length_c   9.561
_cell_angle_alpha   76.729
_cell_angle_beta   76.729
_cell_angle_gamma   116.292
_symmetry_Int_Tables_number   1
_cell_volume   740.009
_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
  Ta  Ta0  1  0.613  0.613  0.131  1.0
  Ta  Ta1  1  0.387  0.387  0.869  1.0
  Ta  Ta2  1  0.454  0.281  0.140  1.0
  Ta  Ta3  1  0.546  0.719  0.860  1.0
  Ta  Ta4  1  0.719  0.546  0.860  1.0
  Ta  Ta5  1  0.281  0.454  0.140  1.0
  Tl  Tl6  1  0.730  0.049  0.327  1.0
  Tl  Tl7  1  0.270  0.951  0.673  1.0
  Tl  Tl8  1  0.951  0.270  0.673  1.0
  Tl  Tl9  1  0.049  0.730  0.327  1.0
  Cl  Cl10  1  0.708  0.292  0.000  1.0
  Cl  Cl11  1  0.292  0.708  0.000  1.0
  Cl  Cl12  1  0.393  0.998  0.322  1.0
  Cl  Cl13  1  0.607  0.002  0.678  1.0
  Cl  Cl14  1  0.002  0.607  0.678  1.0
  Cl  Cl15  1  0.998  0.393  0.322  1.0
  Cl  Cl16  1  0.311  0.103  0.011  1.0
  Cl  Cl17  1  0.689  0.897  0.989  1.0
  Cl  Cl18  1  0.897  0.689  0.989  1.0
  Cl  Cl19  1  0.103  0.311  0.011  1.0
  Cl  Cl20  1  0.756  0.756  0.294  1.0
  Cl  Cl21  1  0.244  0.244  0.706  1.0
  Cl  Cl22  1  0.820  0.820  0.666  1.0
  Cl  Cl23  1  0.180  0.180  0.334  1.0
  Cl  Cl24  1  0.580  0.372  0.322  1.0
  Cl  Cl25  1  0.420  0.628  0.678  1.0
  Cl  Cl26  1  0.628  0.420  0.678  1.0
  Cl  Cl27  1  0.372  0.580  0.322  1.0
[/CIF]
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The material structure described by Ta3Tl2Cl9 crystallizes in the monoclinic C2/m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Cl(4), two equivalent Cl(3), and two equivalent Cl(6) atoms to form distorted corner-sharing TaCl5 square pyramids. In the second Ta site, Ta(2) is bonded to one Cl(1), one Cl(2), one Cl(3), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. Tl(1) is bonded in a 4-coordinate geometry to one Cl(4) and three equivalent Cl(2) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(5) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the second Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the third Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the fourth Cl site, Cl(2) is bonded in a 4-coordinate geometry to one Ta(2) and three equivalent Tl(1) atoms. In the fifth Cl site, Cl(3) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the sixth Cl site, Cl(4) is bonded in a trigonal planar geometry to one Ta(1) and two equivalent Tl(1) atoms. is represented by the CIF card [CIF]
data_Ta3Tl2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.792
_cell_length_b   9.792
_cell_length_c   9.561
_cell_angle_alpha   76.729
_cell_angle_beta   76.729
_cell_angle_gamma   116.292
_symmetry_Int_Tables_number   1
_cell_volume   740.009
_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
  Ta  Ta0  1  0.613  0.613  0.131  1.0
  Ta  Ta1  1  0.387  0.387  0.869  1.0
  Ta  Ta2  1  0.454  0.281  0.140  1.0
  Ta  Ta3  1  0.546  0.719  0.860  1.0
  Ta  Ta4  1  0.719  0.546  0.860  1.0
  Ta  Ta5  1  0.281  0.454  0.140  1.0
  Tl  Tl6  1  0.730  0.049  0.327  1.0
  Tl  Tl7  1  0.270  0.951  0.673  1.0
  Tl  Tl8  1  0.951  0.270  0.673  1.0
  Tl  Tl9  1  0.049  0.730  0.327  1.0
  Cl  Cl10  1  0.708  0.292  0.000  1.0
  Cl  Cl11  1  0.292  0.708  0.000  1.0
  Cl  Cl12  1  0.393  0.998  0.322  1.0
  Cl  Cl13  1  0.607  0.002  0.678  1.0
  Cl  Cl14  1  0.002  0.607  0.678  1.0
  Cl  Cl15  1  0.998  0.393  0.322  1.0
  Cl  Cl16  1  0.311  0.103  0.011  1.0
  Cl  Cl17  1  0.689  0.897  0.989  1.0
  Cl  Cl18  1  0.897  0.689  0.989  1.0
  Cl  Cl19  1  0.103  0.311  0.011  1.0
  Cl  Cl20  1  0.756  0.756  0.294  1.0
  Cl  Cl21  1  0.244  0.244  0.706  1.0
  Cl  Cl22  1  0.820  0.820  0.666  1.0
  Cl  Cl23  1  0.180  0.180  0.334  1.0
  Cl  Cl24  1  0.580  0.372  0.322  1.0
  Cl  Cl25  1  0.420  0.628  0.678  1.0
  Cl  Cl26  1  0.628  0.420  0.678  1.0
  Cl  Cl27  1  0.372  0.580  0.322  1.0
[/CIF]
.