The material structure described by CsGaCl4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(2), three equivalent Cl(1), and six equivalent Cl(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Ga(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_CsGaCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   9.468
_cell_length_c   11.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.720
_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
  Cs  Cs0  1  0.750  0.665  0.319  1.0
  Cs  Cs1  1  0.750  0.835  0.819  1.0
  Cs  Cs2  1  0.250  0.165  0.181  1.0
  Cs  Cs3  1  0.250  0.335  0.681  1.0
  Ga  Ga4  1  0.750  0.306  0.928  1.0
  Ga  Ga5  1  0.250  0.806  0.572  1.0
  Ga  Ga6  1  0.250  0.694  0.072  1.0
  Ga  Ga7  1  0.750  0.194  0.428  1.0
  Cl  Cl8  1  0.250  0.549  0.216  1.0
  Cl  Cl9  1  0.750  0.049  0.284  1.0
  Cl  Cl10  1  0.250  0.915  0.410  1.0
  Cl  Cl11  1  0.502  0.330  0.415  1.0
  Cl  Cl12  1  0.750  0.085  0.590  1.0
  Cl  Cl13  1  0.750  0.415  0.090  1.0
  Cl  Cl14  1  0.250  0.585  0.910  1.0
  Cl  Cl15  1  0.498  0.830  0.085  1.0
  Cl  Cl16  1  0.998  0.330  0.415  1.0
  Cl  Cl17  1  0.498  0.670  0.585  1.0
  Cl  Cl18  1  0.998  0.170  0.915  1.0
  Cl  Cl19  1  0.502  0.170  0.915  1.0
  Cl  Cl20  1  0.750  0.451  0.784  1.0
  Cl  Cl21  1  0.002  0.830  0.085  1.0
  Cl  Cl22  1  0.002  0.670  0.585  1.0
  Cl  Cl23  1  0.250  0.951  0.716  1.0
[/CIF]
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The material structure described by CsGaCl4 crystallizes in the orthorhombic Pnma space group. Cs(1) is bonded in a 10-coordinate geometry to one Cl(2), three equivalent Cl(1), and six equivalent Cl(3) atoms. Ga(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. In the second Cl site, Cl(2) is bonded in a distorted single-bond geometry to one Cs(1) and one Ga(1) atom. In the third Cl site, Cl(3) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Ga(1) atom. is represented by the CIF card [CIF]
data_CsGaCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.108
_cell_length_b   9.468
_cell_length_c   11.808
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   794.720
_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
  Cs  Cs0  1  0.750  0.665  0.319  1.0
  Cs  Cs1  1  0.750  0.835  0.819  1.0
  Cs  Cs2  1  0.250  0.165  0.181  1.0
  Cs  Cs3  1  0.250  0.335  0.681  1.0
  Ga  Ga4  1  0.750  0.306  0.928  1.0
  Ga  Ga5  1  0.250  0.806  0.572  1.0
  Ga  Ga6  1  0.250  0.694  0.072  1.0
  Ga  Ga7  1  0.750  0.194  0.428  1.0
  Cl  Cl8  1  0.250  0.549  0.216  1.0
  Cl  Cl9  1  0.750  0.049  0.284  1.0
  Cl  Cl10  1  0.250  0.915  0.410  1.0
  Cl  Cl11  1  0.502  0.330  0.415  1.0
  Cl  Cl12  1  0.750  0.085  0.590  1.0
  Cl  Cl13  1  0.750  0.415  0.090  1.0
  Cl  Cl14  1  0.250  0.585  0.910  1.0
  Cl  Cl15  1  0.498  0.830  0.085  1.0
  Cl  Cl16  1  0.998  0.330  0.415  1.0
  Cl  Cl17  1  0.498  0.670  0.585  1.0
  Cl  Cl18  1  0.998  0.170  0.915  1.0
  Cl  Cl19  1  0.502  0.170  0.915  1.0
  Cl  Cl20  1  0.750  0.451  0.784  1.0
  Cl  Cl21  1  0.002  0.830  0.085  1.0
  Cl  Cl22  1  0.002  0.670  0.585  1.0
  Cl  Cl23  1  0.250  0.951  0.716  1.0
[/CIF]
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