The material described by ZrCl6(C4N)2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and four ZrCl6 clusters. In each ZrCl6 cluster, Zr(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the CIF file [CIF]
data_ZrC8(NCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.855
_cell_length_b   7.855
_cell_length_c   7.855
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   342.743
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  C  C1  1  0.675  0.675  0.975  1.0
  C  C2  1  0.675  0.975  0.675  1.0
  C  C3  1  0.975  0.675  0.675  1.0
  C  C4  1  0.675  0.675  0.675  1.0
  C  C5  1  0.325  0.325  0.025  1.0
  C  C6  1  0.325  0.025  0.325  1.0
  C  C7  1  0.025  0.325  0.325  1.0
  C  C8  1  0.325  0.325  0.325  1.0
  N  N9  1  0.750  0.750  0.750  1.0
  N  N10  1  0.250  0.250  0.250  1.0
  Cl  Cl11  1  0.776  0.776  0.224  1.0
  Cl  Cl12  1  0.224  0.776  0.224  1.0
  Cl  Cl13  1  0.776  0.224  0.224  1.0
  Cl  Cl14  1  0.224  0.224  0.776  1.0
  Cl  Cl15  1  0.776  0.224  0.776  1.0
  Cl  Cl16  1  0.224  0.776  0.776  1.0
[/CIF]
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The material described by ZrCl6(C4N)2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is zero-dimensional and consists of eight tetramethylammonium molecules and four ZrCl6 clusters. In each ZrCl6 cluster, Zr(1) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. is represented by the CIF file [CIF]
data_ZrC8(NCl3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.855
_cell_length_b   7.855
_cell_length_c   7.855
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   342.743
_cell_formula_units_Z   1
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
  Zr  Zr0  1  0.000  0.000  0.000  1.0
  C  C1  1  0.675  0.675  0.975  1.0
  C  C2  1  0.675  0.975  0.675  1.0
  C  C3  1  0.975  0.675  0.675  1.0
  C  C4  1  0.675  0.675  0.675  1.0
  C  C5  1  0.325  0.325  0.025  1.0
  C  C6  1  0.325  0.025  0.325  1.0
  C  C7  1  0.025  0.325  0.325  1.0
  C  C8  1  0.325  0.325  0.325  1.0
  N  N9  1  0.750  0.750  0.750  1.0
  N  N10  1  0.250  0.250  0.250  1.0
  Cl  Cl11  1  0.776  0.776  0.224  1.0
  Cl  Cl12  1  0.224  0.776  0.224  1.0
  Cl  Cl13  1  0.776  0.224  0.224  1.0
  Cl  Cl14  1  0.224  0.224  0.776  1.0
  Cl  Cl15  1  0.776  0.224  0.776  1.0
  Cl  Cl16  1  0.224  0.776  0.776  1.0
[/CIF]
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