The material structure described by (Na)2HgGaCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-23-5 atoms inside a HgGaCl6 framework. In the HgGaCl6 framework, Hg(1) is bonded to six equivalent Cl(1) atoms to form HgCl6 octahedra that share corners with six equivalent Ga(1)Cl6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Cl(1) atoms to form GaCl6 octahedra that share corners with six equivalent Hg(1)Cl6 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to one Hg(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_Na2GaHgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.346
_cell_length_b   7.346
_cell_length_c   7.346
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.284
_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
  Na  Na0  1  0.750  0.750  0.750  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.767  0.233  0.233  1.0
  Cl  Cl5  1  0.233  0.233  0.767  1.0
  Cl  Cl6  1  0.233  0.767  0.767  1.0
  Cl  Cl7  1  0.233  0.767  0.233  1.0
  Cl  Cl8  1  0.767  0.233  0.767  1.0
  Cl  Cl9  1  0.767  0.767  0.233  1.0
[/CIF]
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The material structure described by (Na)2HgGaCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure consists of eight 7440-23-5 atoms inside a HgGaCl6 framework. In the HgGaCl6 framework, Hg(1) is bonded to six equivalent Cl(1) atoms to form HgCl6 octahedra that share corners with six equivalent Ga(1)Cl6 octahedra. The corner-sharing octahedra are not tilted. Ga(1) is bonded to six equivalent Cl(1) atoms to form GaCl6 octahedra that share corners with six equivalent Hg(1)Cl6 octahedra. The corner-sharing octahedra are not tilted. Cl(1) is bonded in a linear geometry to one Hg(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_Na2GaHgCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.346
_cell_length_b   7.346
_cell_length_c   7.346
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   280.284
_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
  Na  Na0  1  0.750  0.750  0.750  1.0
  Na  Na1  1  0.250  0.250  0.250  1.0
  Ga  Ga2  1  0.000  0.000  0.000  1.0
  Hg  Hg3  1  0.500  0.500  0.500  1.0
  Cl  Cl4  1  0.767  0.233  0.233  1.0
  Cl  Cl5  1  0.233  0.233  0.767  1.0
  Cl  Cl6  1  0.233  0.767  0.767  1.0
  Cl  Cl7  1  0.233  0.767  0.233  1.0
  Cl  Cl8  1  0.767  0.233  0.767  1.0
  Cl  Cl9  1  0.767  0.767  0.233  1.0
[/CIF]
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