The compound described by Na2CrCl4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Cr(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form edge-sharing CrCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to four equivalent Na(1) and one Cr(1) atom to form a mixture of distorted edge and corner-sharing ClNa4Cr trigonal bipyramids. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Na2CrCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.628
_cell_length_b   4.038
_cell_length_c   7.017
_cell_angle_alpha   86.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.775
_cell_formula_units_Z   2
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  0.680  0.517  0.094  1.0
  Na  Na1  1  0.180  0.483  0.406  1.0
  Na  Na2  1  0.820  0.517  0.594  1.0
  Na  Na3  1  0.320  0.483  0.906  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.953  0.567  0.240  1.0
  Cl  Cl7  1  0.453  0.433  0.260  1.0
  Cl  Cl8  1  0.807  0.008  0.885  1.0
  Cl  Cl9  1  0.307  0.992  0.615  1.0
  Cl  Cl10  1  0.193  0.992  0.115  1.0
  Cl  Cl11  1  0.693  0.008  0.385  1.0
  Cl  Cl12  1  0.047  0.433  0.760  1.0
  Cl  Cl13  1  0.547  0.567  0.740  1.0
[/CIF]
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The compound described by Na2CrCl4 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to three equivalent Cl(1) and four equivalent Cl(2) atoms. Cr(1) is bonded to two equivalent Cl(2) and four equivalent Cl(1) atoms to form edge-sharing CrCl6 octahedra. There are two inequivalent Cl sites. In the first Cl site, Cl(2) is bonded to four equivalent Na(1) and one Cr(1) atom to form a mixture of distorted edge and corner-sharing ClNa4Cr trigonal bipyramids. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to three equivalent Na(1) and two equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_Na2CrCl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.628
_cell_length_b   4.038
_cell_length_c   7.017
_cell_angle_alpha   86.185
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   328.775
_cell_formula_units_Z   2
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  0.680  0.517  0.094  1.0
  Na  Na1  1  0.180  0.483  0.406  1.0
  Na  Na2  1  0.820  0.517  0.594  1.0
  Na  Na3  1  0.320  0.483  0.906  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.000  0.000  1.0
  Cl  Cl6  1  0.953  0.567  0.240  1.0
  Cl  Cl7  1  0.453  0.433  0.260  1.0
  Cl  Cl8  1  0.807  0.008  0.885  1.0
  Cl  Cl9  1  0.307  0.992  0.615  1.0
  Cl  Cl10  1  0.193  0.992  0.115  1.0
  Cl  Cl11  1  0.693  0.008  0.385  1.0
  Cl  Cl12  1  0.047  0.433  0.760  1.0
  Cl  Cl13  1  0.547  0.567  0.740  1.0
[/CIF]
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