The material structure described by (TaCl6)2N2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonia atoms and four TaCl6 clusters. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to six equivalent Cl(1,2,3) atoms. Cl(1,2,3) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   12.474
_cell_angle_alpha   79.254
_cell_angle_beta   79.254
_cell_angle_gamma   55.202
_symmetry_Int_Tables_number   1
_cell_volume   486.919
_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  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.000  1.0
  N  N2  1  0.881  0.119  0.750  1.0
  N  N3  1  0.119  0.881  0.250  1.0
  Cl  Cl4  1  0.464  0.700  0.603  1.0
  Cl  Cl5  1  0.536  0.300  0.397  1.0
  Cl  Cl6  1  0.300  0.536  0.897  1.0
  Cl  Cl7  1  0.700  0.464  0.103  1.0
  Cl  Cl8  1  0.371  0.200  0.658  1.0
  Cl  Cl9  1  0.629  0.800  0.342  1.0
  Cl  Cl10  1  0.800  0.629  0.842  1.0
  Cl  Cl11  1  0.200  0.371  0.158  1.0
  Cl  Cl12  1  0.796  0.892  0.040  1.0
  Cl  Cl13  1  0.204  0.108  0.960  1.0
  Cl  Cl14  1  0.108  0.204  0.460  1.0
  Cl  Cl15  1  0.892  0.796  0.540  1.0
[/CIF]
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The material structure described by (TaCl6)2N2 is Indium-derived structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ammonia atoms and four TaCl6 clusters. In each TaCl6 cluster, Ta(1) is bonded in an octahedral geometry to six equivalent Cl(1,2,3) atoms. Cl(1,2,3) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaNCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.973
_cell_length_b   6.973
_cell_length_c   12.474
_cell_angle_alpha   79.254
_cell_angle_beta   79.254
_cell_angle_gamma   55.202
_symmetry_Int_Tables_number   1
_cell_volume   486.919
_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  0.500  0.000  0.500  1.0
  Ta  Ta1  1  0.000  0.500  0.000  1.0
  N  N2  1  0.881  0.119  0.750  1.0
  N  N3  1  0.119  0.881  0.250  1.0
  Cl  Cl4  1  0.464  0.700  0.603  1.0
  Cl  Cl5  1  0.536  0.300  0.397  1.0
  Cl  Cl6  1  0.300  0.536  0.897  1.0
  Cl  Cl7  1  0.700  0.464  0.103  1.0
  Cl  Cl8  1  0.371  0.200  0.658  1.0
  Cl  Cl9  1  0.629  0.800  0.342  1.0
  Cl  Cl10  1  0.800  0.629  0.842  1.0
  Cl  Cl11  1  0.200  0.371  0.158  1.0
  Cl  Cl12  1  0.796  0.892  0.040  1.0
  Cl  Cl13  1  0.204  0.108  0.960  1.0
  Cl  Cl14  1  0.108  0.204  0.460  1.0
  Cl  Cl15  1  0.892  0.796  0.540  1.0
[/CIF]
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