The compound described by (Ta2NCl10)2(N2)3 is Indium-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of six ammonia atoms and two Ta2NCl10 clusters. In each Ta2NCl10 cluster, Ta(1) is bonded to one N(1), one Cl(2), and four equivalent Cl(1) atoms to form corner-sharing TaNCl5 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a linear geometry to two equivalent Ta(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   18.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   939.443
_cell_formula_units_Z   4
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  0.500  0.385  1.0
  Ta  Ta1  1  0.000  0.000  0.885  1.0
  Ta  Ta2  1  0.500  0.500  0.615  1.0
  Ta  Ta3  1  0.000  0.000  0.115  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  N  N5  1  0.000  0.000  0.000  1.0
  N  N6  1  0.500  0.000  0.250  1.0
  N  N7  1  0.000  0.500  0.750  1.0
  N  N8  1  0.000  0.500  0.250  1.0
  N  N9  1  0.500  0.000  0.750  1.0
  N  N10  1  0.500  0.500  0.000  1.0
  N  N11  1  0.000  0.000  0.500  1.0
  Cl  Cl12  1  0.766  0.695  0.399  1.0
  Cl  Cl13  1  0.234  0.305  0.399  1.0
  Cl  Cl14  1  0.734  0.195  0.899  1.0
  Cl  Cl15  1  0.266  0.805  0.899  1.0
  Cl  Cl16  1  0.695  0.234  0.399  1.0
  Cl  Cl17  1  0.305  0.766  0.399  1.0
  Cl  Cl18  1  0.195  0.266  0.899  1.0
  Cl  Cl19  1  0.805  0.734  0.899  1.0
  Cl  Cl20  1  0.234  0.305  0.601  1.0
  Cl  Cl21  1  0.766  0.695  0.601  1.0
  Cl  Cl22  1  0.266  0.805  0.101  1.0
  Cl  Cl23  1  0.734  0.195  0.101  1.0
  Cl  Cl24  1  0.305  0.766  0.601  1.0
  Cl  Cl25  1  0.695  0.234  0.601  1.0
  Cl  Cl26  1  0.805  0.734  0.101  1.0
  Cl  Cl27  1  0.195  0.266  0.101  1.0
  Cl  Cl28  1  0.500  0.500  0.261  1.0
  Cl  Cl29  1  0.000  0.000  0.761  1.0
  Cl  Cl30  1  0.500  0.500  0.739  1.0
  Cl  Cl31  1  0.000  0.000  0.239  1.0
[/CIF]
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The compound described by (Ta2NCl10)2(N2)3 is Indium-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is zero-dimensional and consists of six ammonia atoms and two Ta2NCl10 clusters. In each Ta2NCl10 cluster, Ta(1) is bonded to one N(1), one Cl(2), and four equivalent Cl(1) atoms to form corner-sharing TaNCl5 octahedra. The corner-sharing octahedra are not tilted. N(1) is bonded in a linear geometry to two equivalent Ta(1) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TaN2Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.100
_cell_length_b   7.100
_cell_length_c   18.638
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   939.443
_cell_formula_units_Z   4
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  0.500  0.385  1.0
  Ta  Ta1  1  0.000  0.000  0.885  1.0
  Ta  Ta2  1  0.500  0.500  0.615  1.0
  Ta  Ta3  1  0.000  0.000  0.115  1.0
  N  N4  1  0.500  0.500  0.500  1.0
  N  N5  1  0.000  0.000  0.000  1.0
  N  N6  1  0.500  0.000  0.250  1.0
  N  N7  1  0.000  0.500  0.750  1.0
  N  N8  1  0.000  0.500  0.250  1.0
  N  N9  1  0.500  0.000  0.750  1.0
  N  N10  1  0.500  0.500  0.000  1.0
  N  N11  1  0.000  0.000  0.500  1.0
  Cl  Cl12  1  0.766  0.695  0.399  1.0
  Cl  Cl13  1  0.234  0.305  0.399  1.0
  Cl  Cl14  1  0.734  0.195  0.899  1.0
  Cl  Cl15  1  0.266  0.805  0.899  1.0
  Cl  Cl16  1  0.695  0.234  0.399  1.0
  Cl  Cl17  1  0.305  0.766  0.399  1.0
  Cl  Cl18  1  0.195  0.266  0.899  1.0
  Cl  Cl19  1  0.805  0.734  0.899  1.0
  Cl  Cl20  1  0.234  0.305  0.601  1.0
  Cl  Cl21  1  0.766  0.695  0.601  1.0
  Cl  Cl22  1  0.266  0.805  0.101  1.0
  Cl  Cl23  1  0.734  0.195  0.101  1.0
  Cl  Cl24  1  0.305  0.766  0.601  1.0
  Cl  Cl25  1  0.695  0.234  0.601  1.0
  Cl  Cl26  1  0.805  0.734  0.101  1.0
  Cl  Cl27  1  0.195  0.266  0.101  1.0
  Cl  Cl28  1  0.500  0.500  0.261  1.0
  Cl  Cl29  1  0.000  0.000  0.761  1.0
  Cl  Cl30  1  0.500  0.500  0.739  1.0
  Cl  Cl31  1  0.000  0.000  0.239  1.0
[/CIF]
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