The material described by NbCl6AsCl3PCl4 is Indium-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four [pcl4]+1 molecules, four arsenic trichloride molecules, and four NbCl6 clusters. In each NbCl6 cluster, Nb(1) is bonded in an octahedral geometry to one Cl(8), one Cl(9), two equivalent Cl(4), and two equivalent Cl(7) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbAsPCl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.788
_cell_length_b   9.788
_cell_length_c   12.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.855
_symmetry_Int_Tables_number   1
_cell_volume   1052.887
_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
  Nb  Nb0  1  0.206  0.794  0.501  1.0
  Nb  Nb1  1  0.794  0.206  0.001  1.0
  As  As2  1  0.547  0.453  0.151  1.0
  As  As3  1  0.453  0.547  0.651  1.0
  P  P4  1  0.141  0.859  0.962  1.0
  P  P5  1  0.859  0.141  0.462  1.0
  Cl  Cl6  1  0.378  0.302  0.627  1.0
  Cl  Cl7  1  0.747  0.253  0.412  1.0
  Cl  Cl8  1  0.449  0.551  0.834  1.0
  Cl  Cl9  1  0.307  0.012  0.388  1.0
  Cl  Cl10  1  0.066  0.237  0.407  1.0
  Cl  Cl11  1  0.253  0.747  0.912  1.0
  Cl  Cl12  1  0.302  0.378  0.127  1.0
  Cl  Cl13  1  0.012  0.307  0.888  1.0
  Cl  Cl14  1  0.988  0.693  0.388  1.0
  Cl  Cl15  1  0.934  0.763  0.907  1.0
  Cl  Cl16  1  0.551  0.449  0.334  1.0
  Cl  Cl17  1  0.139  0.861  0.124  1.0
  Cl  Cl18  1  0.896  0.425  0.117  1.0
  Cl  Cl19  1  0.325  0.675  0.392  1.0
  Cl  Cl20  1  0.912  0.088  0.116  1.0
  Cl  Cl21  1  0.693  0.988  0.888  1.0
  Cl  Cl22  1  0.763  0.934  0.407  1.0
  Cl  Cl23  1  0.237  0.066  0.907  1.0
  Cl  Cl24  1  0.675  0.325  0.892  1.0
  Cl  Cl25  1  0.622  0.698  0.127  1.0
  Cl  Cl26  1  0.575  0.104  0.117  1.0
  Cl  Cl27  1  0.861  0.139  0.624  1.0
  Cl  Cl28  1  0.425  0.896  0.617  1.0
  Cl  Cl29  1  0.698  0.622  0.627  1.0
  Cl  Cl30  1  0.088  0.912  0.616  1.0
  Cl  Cl31  1  0.104  0.575  0.617  1.0
[/CIF]
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The material described by NbCl6AsCl3PCl4 is Indium-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four [pcl4]+1 molecules, four arsenic trichloride molecules, and four NbCl6 clusters. In each NbCl6 cluster, Nb(1) is bonded in an octahedral geometry to one Cl(8), one Cl(9), two equivalent Cl(4), and two equivalent Cl(7) atoms. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(1) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbAsPCl13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.788
_cell_length_b   9.788
_cell_length_c   12.111
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.855
_symmetry_Int_Tables_number   1
_cell_volume   1052.887
_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
  Nb  Nb0  1  0.206  0.794  0.501  1.0
  Nb  Nb1  1  0.794  0.206  0.001  1.0
  As  As2  1  0.547  0.453  0.151  1.0
  As  As3  1  0.453  0.547  0.651  1.0
  P  P4  1  0.141  0.859  0.962  1.0
  P  P5  1  0.859  0.141  0.462  1.0
  Cl  Cl6  1  0.378  0.302  0.627  1.0
  Cl  Cl7  1  0.747  0.253  0.412  1.0
  Cl  Cl8  1  0.449  0.551  0.834  1.0
  Cl  Cl9  1  0.307  0.012  0.388  1.0
  Cl  Cl10  1  0.066  0.237  0.407  1.0
  Cl  Cl11  1  0.253  0.747  0.912  1.0
  Cl  Cl12  1  0.302  0.378  0.127  1.0
  Cl  Cl13  1  0.012  0.307  0.888  1.0
  Cl  Cl14  1  0.988  0.693  0.388  1.0
  Cl  Cl15  1  0.934  0.763  0.907  1.0
  Cl  Cl16  1  0.551  0.449  0.334  1.0
  Cl  Cl17  1  0.139  0.861  0.124  1.0
  Cl  Cl18  1  0.896  0.425  0.117  1.0
  Cl  Cl19  1  0.325  0.675  0.392  1.0
  Cl  Cl20  1  0.912  0.088  0.116  1.0
  Cl  Cl21  1  0.693  0.988  0.888  1.0
  Cl  Cl22  1  0.763  0.934  0.407  1.0
  Cl  Cl23  1  0.237  0.066  0.907  1.0
  Cl  Cl24  1  0.675  0.325  0.892  1.0
  Cl  Cl25  1  0.622  0.698  0.127  1.0
  Cl  Cl26  1  0.575  0.104  0.117  1.0
  Cl  Cl27  1  0.861  0.139  0.624  1.0
  Cl  Cl28  1  0.425  0.896  0.617  1.0
  Cl  Cl29  1  0.698  0.622  0.627  1.0
  Cl  Cl30  1  0.088  0.912  0.616  1.0
  Cl  Cl31  1  0.104  0.575  0.617  1.0
[/CIF]
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