The compound described by Ta3In2Cl9 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(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. In the second Ta site, Ta(2) is bonded to one Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms to form distorted corner-sharing TaCl5 square pyramids. In(1) is bonded in a distorted T-shaped geometry to one Cl(3) and two equivalent Cl(1) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Ta(1) and two equivalent In(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ta(2) and two equivalent In(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the sixth Cl site, Cl(6) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta3In2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.507
_cell_length_b   9.507
_cell_length_c   9.625
_cell_angle_alpha   74.851
_cell_angle_beta   74.851
_cell_angle_gamma   109.766
_symmetry_Int_Tables_number   1
_cell_volume   729.293
_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  0.779  0.964  0.140  1.0
  Ta  Ta1  1  0.103  0.103  0.131  1.0
  Ta  Ta2  1  0.897  0.897  0.869  1.0
  Ta  Ta3  1  0.036  0.221  0.860  1.0
  Ta  Ta4  1  0.964  0.779  0.140  1.0
  Ta  Ta5  1  0.221  0.036  0.860  1.0
  In  In6  1  0.237  0.543  0.338  1.0
  In  In7  1  0.543  0.237  0.338  1.0
  In  In8  1  0.457  0.763  0.662  1.0
  In  In9  1  0.763  0.457  0.662  1.0
  Cl  Cl10  1  0.507  0.082  0.676  1.0
  Cl  Cl11  1  0.689  0.689  0.335  1.0
  Cl  Cl12  1  0.236  0.236  0.297  1.0
  Cl  Cl13  1  0.080  0.858  0.324  1.0
  Cl  Cl14  1  0.613  0.835  0.011  1.0
  Cl  Cl15  1  0.920  0.142  0.676  1.0
  Cl  Cl16  1  0.082  0.507  0.676  1.0
  Cl  Cl17  1  0.779  0.221  0.000  1.0
  Cl  Cl18  1  0.835  0.613  0.011  1.0
  Cl  Cl19  1  0.387  0.165  0.989  1.0
  Cl  Cl20  1  0.221  0.779  0.000  1.0
  Cl  Cl21  1  0.493  0.918  0.324  1.0
  Cl  Cl22  1  0.918  0.493  0.324  1.0
  Cl  Cl23  1  0.764  0.764  0.703  1.0
  Cl  Cl24  1  0.311  0.311  0.665  1.0
  Cl  Cl25  1  0.142  0.920  0.676  1.0
  Cl  Cl26  1  0.858  0.080  0.324  1.0
  Cl  Cl27  1  0.165  0.387  0.989  1.0
[/CIF]
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The compound described by Ta3In2Cl9 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(1), one Cl(2), one Cl(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. In the second Ta site, Ta(2) is bonded to one Cl(3), two equivalent Cl(4), and two equivalent Cl(5) atoms to form distorted corner-sharing TaCl5 square pyramids. In(1) is bonded in a distorted T-shaped geometry to one Cl(3) and two equivalent Cl(1) atoms. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a trigonal non-coplanar geometry to one Ta(1) and two equivalent In(1) atoms. In the second Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. In the third Cl site, Cl(3) is bonded in a distorted trigonal planar geometry to one Ta(2) and two equivalent In(1) atoms. In the fourth Cl site, Cl(4) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. In the sixth Cl site, Cl(6) is bonded in a 2-coordinate geometry to two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Ta3In2Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.507
_cell_length_b   9.507
_cell_length_c   9.625
_cell_angle_alpha   74.851
_cell_angle_beta   74.851
_cell_angle_gamma   109.766
_symmetry_Int_Tables_number   1
_cell_volume   729.293
_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  0.779  0.964  0.140  1.0
  Ta  Ta1  1  0.103  0.103  0.131  1.0
  Ta  Ta2  1  0.897  0.897  0.869  1.0
  Ta  Ta3  1  0.036  0.221  0.860  1.0
  Ta  Ta4  1  0.964  0.779  0.140  1.0
  Ta  Ta5  1  0.221  0.036  0.860  1.0
  In  In6  1  0.237  0.543  0.338  1.0
  In  In7  1  0.543  0.237  0.338  1.0
  In  In8  1  0.457  0.763  0.662  1.0
  In  In9  1  0.763  0.457  0.662  1.0
  Cl  Cl10  1  0.507  0.082  0.676  1.0
  Cl  Cl11  1  0.689  0.689  0.335  1.0
  Cl  Cl12  1  0.236  0.236  0.297  1.0
  Cl  Cl13  1  0.080  0.858  0.324  1.0
  Cl  Cl14  1  0.613  0.835  0.011  1.0
  Cl  Cl15  1  0.920  0.142  0.676  1.0
  Cl  Cl16  1  0.082  0.507  0.676  1.0
  Cl  Cl17  1  0.779  0.221  0.000  1.0
  Cl  Cl18  1  0.835  0.613  0.011  1.0
  Cl  Cl19  1  0.387  0.165  0.989  1.0
  Cl  Cl20  1  0.221  0.779  0.000  1.0
  Cl  Cl21  1  0.493  0.918  0.324  1.0
  Cl  Cl22  1  0.918  0.493  0.324  1.0
  Cl  Cl23  1  0.764  0.764  0.703  1.0
  Cl  Cl24  1  0.311  0.311  0.665  1.0
  Cl  Cl25  1  0.142  0.920  0.676  1.0
  Cl  Cl26  1  0.858  0.080  0.324  1.0
  Cl  Cl27  1  0.165  0.387  0.989  1.0
[/CIF]
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