data_ZrZnCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.1
_cell_length_b   7.1
_cell_length_c   7.1
_cell_angle_alpha   154.27
_cell_angle_beta   138.14
_cell_angle_gamma   49.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCl2
_chemical_formula_sum   'Zr1 Zn1 Cl2'
_cell_volume   103.2
_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  Zr3  1  0.0  0.0  0.44  1.0
  Zn  Zn2  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.54  0.05  1.0
  Cl  Cl1  1  0.58  0.0  0.39  1.0

data_ZrZnCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.07
_cell_length_c   7.1
_cell_angle_alpha   110.93
_cell_angle_beta   102.86
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZnCl2
_chemical_formula_sum   'Zr1 Zn1 Cl2'
_cell_volume   103.2
_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  0.0  0.44  0.44  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.39  0.81  1.0
  Cl  Cl3  1  0.46  0.51  0.51  1.0

Zr Zn Cl Cl
ZrZnCl2 crystallizes in the triclinic P1 space group. Zr(1) is bonded in a distorted bent 150 degrees geometry to one Zn(1), one Cl(2), and two equivalent Cl(1) atoms. The Zr(1)-Zn(1) bond length is 3.12 Å. The Zr(1)-Cl(2) bond length is 2.74 Å. There is one shorter (1.44 Å) and one longer (1.88 Å) Zr(1)-Cl(1) bond length. Zn(1) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Cl(2) atoms. There is one shorter (2.76 Å) and one longer (2.89 Å) Zn(1)-Cl(2) bond length. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to two equivalent Zr(1) atoms. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one Zr(1) and two equivalent Zn(1) atoms.