The structure described by TaC2H6SeCl5 is Ammonia-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four TaC2H6SeCl5 clusters. Ta(1) is bonded in a distorted octahedral geometry to one Se(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one Se(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one Ta(1) and two equivalent C(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaH6C2SeCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.602
_cell_length_b   7.602
_cell_length_c   11.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.641
_symmetry_Int_Tables_number   1
_cell_volume   612.761
_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  0.789  0.211  0.694  1.0
  Ta  Ta1  1  0.211  0.789  0.194  1.0
  H  H2  1  0.457  0.213  0.441  1.0
  H  H3  1  0.787  0.543  0.441  1.0
  H  H4  1  0.543  0.787  0.941  1.0
  H  H5  1  0.213  0.457  0.941  1.0
  H  H6  1  0.282  0.151  0.557  1.0
  H  H7  1  0.849  0.718  0.557  1.0
  H  H8  1  0.718  0.849  0.057  1.0
  H  H9  1  0.151  0.282  0.057  1.0
  H  H10  1  0.317  0.356  0.467  1.0
  H  H11  1  0.644  0.683  0.467  1.0
  H  H12  1  0.683  0.644  0.967  1.0
  H  H13  1  0.356  0.317  0.967  1.0
  C  C14  1  0.385  0.267  0.507  1.0
  C  C15  1  0.733  0.615  0.507  1.0
  C  C16  1  0.615  0.733  0.007  1.0
  C  C17  1  0.267  0.385  0.007  1.0
  Se  Se18  1  0.572  0.428  0.619  1.0
  Se  Se19  1  0.428  0.572  0.119  1.0
  Cl  Cl20  1  0.965  0.035  0.750  1.0
  Cl  Cl21  1  0.035  0.965  0.250  1.0
  Cl  Cl22  1  0.492  0.955  0.691  1.0
  Cl  Cl23  1  0.045  0.508  0.691  1.0
  Cl  Cl24  1  0.508  0.045  0.191  1.0
  Cl  Cl25  1  0.955  0.492  0.191  1.0
  Cl  Cl26  1  0.825  0.175  0.494  1.0
  Cl  Cl27  1  0.175  0.825  0.994  1.0
  Cl  Cl28  1  0.720  0.280  0.883  1.0
  Cl  Cl29  1  0.280  0.720  0.383  1.0
[/CIF]
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The structure described by TaC2H6SeCl5 is Ammonia-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four TaC2H6SeCl5 clusters. Ta(1) is bonded in a distorted octahedral geometry to one Se(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. C(1) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), one H(3), and one Se(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one Ta(1) and two equivalent C(1) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Ta(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Ta(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Ta(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Ta(1) atom. is represented by the CIF card [CIF]
data_TaH6C2SeCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.602
_cell_length_b   7.602
_cell_length_c   11.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   112.641
_symmetry_Int_Tables_number   1
_cell_volume   612.761
_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  0.789  0.211  0.694  1.0
  Ta  Ta1  1  0.211  0.789  0.194  1.0
  H  H2  1  0.457  0.213  0.441  1.0
  H  H3  1  0.787  0.543  0.441  1.0
  H  H4  1  0.543  0.787  0.941  1.0
  H  H5  1  0.213  0.457  0.941  1.0
  H  H6  1  0.282  0.151  0.557  1.0
  H  H7  1  0.849  0.718  0.557  1.0
  H  H8  1  0.718  0.849  0.057  1.0
  H  H9  1  0.151  0.282  0.057  1.0
  H  H10  1  0.317  0.356  0.467  1.0
  H  H11  1  0.644  0.683  0.467  1.0
  H  H12  1  0.683  0.644  0.967  1.0
  H  H13  1  0.356  0.317  0.967  1.0
  C  C14  1  0.385  0.267  0.507  1.0
  C  C15  1  0.733  0.615  0.507  1.0
  C  C16  1  0.615  0.733  0.007  1.0
  C  C17  1  0.267  0.385  0.007  1.0
  Se  Se18  1  0.572  0.428  0.619  1.0
  Se  Se19  1  0.428  0.572  0.119  1.0
  Cl  Cl20  1  0.965  0.035  0.750  1.0
  Cl  Cl21  1  0.035  0.965  0.250  1.0
  Cl  Cl22  1  0.492  0.955  0.691  1.0
  Cl  Cl23  1  0.045  0.508  0.691  1.0
  Cl  Cl24  1  0.508  0.045  0.191  1.0
  Cl  Cl25  1  0.955  0.492  0.191  1.0
  Cl  Cl26  1  0.825  0.175  0.494  1.0
  Cl  Cl27  1  0.175  0.825  0.994  1.0
  Cl  Cl28  1  0.720  0.280  0.883  1.0
  Cl  Cl29  1  0.280  0.720  0.383  1.0
[/CIF]
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