The compound described by BaZnCl4 is Zircon-like structured and crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Zn(1) is bonded in a tetrahedral geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_BaZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.524
_cell_length_b   6.871
_cell_length_c   15.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.994
_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
  Ba  Ba0  1  0.500  0.750  0.629  1.0
  Ba  Ba1  1  0.000  0.250  0.871  1.0
  Ba  Ba2  1  0.500  0.250  0.371  1.0
  Ba  Ba3  1  0.000  0.750  0.129  1.0
  Zn  Zn4  1  0.000  0.750  0.390  1.0
  Zn  Zn5  1  0.500  0.250  0.110  1.0
  Zn  Zn6  1  0.000  0.250  0.610  1.0
  Zn  Zn7  1  0.500  0.750  0.890  1.0
  Cl  Cl8  1  0.853  0.474  0.700  1.0
  Cl  Cl9  1  0.353  0.526  0.800  1.0
  Cl  Cl10  1  0.647  0.974  0.800  1.0
  Cl  Cl11  1  0.147  0.026  0.700  1.0
  Cl  Cl12  1  0.147  0.526  0.300  1.0
  Cl  Cl13  1  0.647  0.474  0.200  1.0
  Cl  Cl14  1  0.353  0.026  0.200  1.0
  Cl  Cl15  1  0.853  0.974  0.300  1.0
  Cl  Cl16  1  0.753  0.593  0.963  1.0
  Cl  Cl17  1  0.253  0.407  0.537  1.0
  Cl  Cl18  1  0.747  0.093  0.537  1.0
  Cl  Cl19  1  0.247  0.907  0.963  1.0
  Cl  Cl20  1  0.247  0.407  0.037  1.0
  Cl  Cl21  1  0.747  0.593  0.463  1.0
  Cl  Cl22  1  0.253  0.907  0.463  1.0
  Cl  Cl23  1  0.753  0.093  0.037  1.0
[/CIF]
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The compound described by BaZnCl4 is Zircon-like structured and crystallizes in the orthorhombic Pbcn space group. Ba(1) is bonded in a 8-coordinate geometry to four equivalent Cl(1) and four equivalent Cl(2) atoms. Zn(1) is bonded in a tetrahedral geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to two equivalent Ba(1) and one Zn(1) atom. In the second Cl site, Cl(2) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_BaZnCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.524
_cell_length_b   6.871
_cell_length_c   15.458
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   692.994
_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
  Ba  Ba0  1  0.500  0.750  0.629  1.0
  Ba  Ba1  1  0.000  0.250  0.871  1.0
  Ba  Ba2  1  0.500  0.250  0.371  1.0
  Ba  Ba3  1  0.000  0.750  0.129  1.0
  Zn  Zn4  1  0.000  0.750  0.390  1.0
  Zn  Zn5  1  0.500  0.250  0.110  1.0
  Zn  Zn6  1  0.000  0.250  0.610  1.0
  Zn  Zn7  1  0.500  0.750  0.890  1.0
  Cl  Cl8  1  0.853  0.474  0.700  1.0
  Cl  Cl9  1  0.353  0.526  0.800  1.0
  Cl  Cl10  1  0.647  0.974  0.800  1.0
  Cl  Cl11  1  0.147  0.026  0.700  1.0
  Cl  Cl12  1  0.147  0.526  0.300  1.0
  Cl  Cl13  1  0.647  0.474  0.200  1.0
  Cl  Cl14  1  0.353  0.026  0.200  1.0
  Cl  Cl15  1  0.853  0.974  0.300  1.0
  Cl  Cl16  1  0.753  0.593  0.963  1.0
  Cl  Cl17  1  0.253  0.407  0.537  1.0
  Cl  Cl18  1  0.747  0.093  0.537  1.0
  Cl  Cl19  1  0.247  0.907  0.963  1.0
  Cl  Cl20  1  0.247  0.407  0.037  1.0
  Cl  Cl21  1  0.747  0.593  0.463  1.0
  Cl  Cl22  1  0.253  0.907  0.463  1.0
  Cl  Cl23  1  0.753  0.093  0.037  1.0
[/CIF]
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