The structure described by K2Ta3Cl9 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), and three equivalent Cl(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Cl(3), two equivalent Cl(4), 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(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Ta(2) atoms. In the second Cl site, Cl(2) is bonded to three equivalent K(1) and one Ta(2) atom to form a mixture of corner and edge-sharing ClK3Ta tetrahedra. In the third Cl site, Cl(3) is bonded in a trigonal planar geometry to two equivalent K(1) and one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one K(1), one Ta(1), and one Ta(2) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the sixth Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. is represented by the CIF card [CIF]
data_K2Ta3Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.754
_cell_length_b   9.754
_cell_length_c   9.583
_cell_angle_alpha   77.289
_cell_angle_beta   77.289
_cell_angle_gamma   117.804
_symmetry_Int_Tables_number   1
_cell_volume   729.588
_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
  K  K0  1  0.230  0.551  0.825  1.0
  K  K1  1  0.449  0.770  0.175  1.0
  K  K2  1  0.770  0.449  0.175  1.0
  K  K3  1  0.551  0.230  0.825  1.0
  Ta  Ta4  1  0.120  0.120  0.627  1.0
  Ta  Ta5  1  0.880  0.880  0.373  1.0
  Ta  Ta6  1  0.220  0.047  0.360  1.0
  Ta  Ta7  1  0.953  0.780  0.640  1.0
  Ta  Ta8  1  0.780  0.953  0.640  1.0
  Ta  Ta9  1  0.047  0.220  0.360  1.0
  Cl  Cl10  1  0.793  0.207  0.500  1.0
  Cl  Cl11  1  0.891  0.498  0.824  1.0
  Cl  Cl12  1  0.498  0.891  0.824  1.0
  Cl  Cl13  1  0.109  0.502  0.176  1.0
  Cl  Cl14  1  0.728  0.728  0.215  1.0
  Cl  Cl15  1  0.272  0.272  0.785  1.0
  Cl  Cl16  1  0.198  0.407  0.484  1.0
  Cl  Cl17  1  0.593  0.802  0.516  1.0
  Cl  Cl18  1  0.802  0.593  0.516  1.0
  Cl  Cl19  1  0.407  0.198  0.484  1.0
  Cl  Cl20  1  0.678  0.678  0.834  1.0
  Cl  Cl21  1  0.120  0.914  0.182  1.0
  Cl  Cl22  1  0.914  0.120  0.182  1.0
  Cl  Cl23  1  0.880  0.086  0.818  1.0
  Cl  Cl24  1  0.086  0.880  0.818  1.0
  Cl  Cl25  1  0.207  0.793  0.500  1.0
  Cl  Cl26  1  0.322  0.322  0.166  1.0
  Cl  Cl27  1  0.502  0.109  0.176  1.0
[/CIF]
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The structure described by K2Ta3Cl9 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to one Cl(1), one Cl(3), one Cl(4), and three equivalent Cl(2) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one Cl(3), two equivalent Cl(4), 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(4), one Cl(5), and one Cl(6) atom to form distorted corner-sharing TaCl5 square pyramids. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 2-coordinate geometry to two equivalent K(1) and two equivalent Ta(2) atoms. In the second Cl site, Cl(2) is bonded to three equivalent K(1) and one Ta(2) atom to form a mixture of corner and edge-sharing ClK3Ta tetrahedra. In the third Cl site, Cl(3) is bonded in a trigonal planar geometry to two equivalent K(1) and one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to one K(1), one Ta(1), and one Ta(2) atom. In the fifth Cl site, Cl(5) is bonded in a 2-coordinate geometry to two equivalent Ta(2) atoms. In the sixth Cl site, Cl(6) is bonded in a 2-coordinate geometry to one Ta(1) and one Ta(2) atom. is represented by the CIF card [CIF]
data_K2Ta3Cl9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.754
_cell_length_b   9.754
_cell_length_c   9.583
_cell_angle_alpha   77.289
_cell_angle_beta   77.289
_cell_angle_gamma   117.804
_symmetry_Int_Tables_number   1
_cell_volume   729.588
_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
  K  K0  1  0.230  0.551  0.825  1.0
  K  K1  1  0.449  0.770  0.175  1.0
  K  K2  1  0.770  0.449  0.175  1.0
  K  K3  1  0.551  0.230  0.825  1.0
  Ta  Ta4  1  0.120  0.120  0.627  1.0
  Ta  Ta5  1  0.880  0.880  0.373  1.0
  Ta  Ta6  1  0.220  0.047  0.360  1.0
  Ta  Ta7  1  0.953  0.780  0.640  1.0
  Ta  Ta8  1  0.780  0.953  0.640  1.0
  Ta  Ta9  1  0.047  0.220  0.360  1.0
  Cl  Cl10  1  0.793  0.207  0.500  1.0
  Cl  Cl11  1  0.891  0.498  0.824  1.0
  Cl  Cl12  1  0.498  0.891  0.824  1.0
  Cl  Cl13  1  0.109  0.502  0.176  1.0
  Cl  Cl14  1  0.728  0.728  0.215  1.0
  Cl  Cl15  1  0.272  0.272  0.785  1.0
  Cl  Cl16  1  0.198  0.407  0.484  1.0
  Cl  Cl17  1  0.593  0.802  0.516  1.0
  Cl  Cl18  1  0.802  0.593  0.516  1.0
  Cl  Cl19  1  0.407  0.198  0.484  1.0
  Cl  Cl20  1  0.678  0.678  0.834  1.0
  Cl  Cl21  1  0.120  0.914  0.182  1.0
  Cl  Cl22  1  0.914  0.120  0.182  1.0
  Cl  Cl23  1  0.880  0.086  0.818  1.0
  Cl  Cl24  1  0.086  0.880  0.818  1.0
  Cl  Cl25  1  0.207  0.793  0.500  1.0
  Cl  Cl26  1  0.322  0.322  0.166  1.0
  Cl  Cl27  1  0.502  0.109  0.176  1.0
[/CIF]
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