The compound described by NaCl3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Na(1) and one Cl(3) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Cl(3) atom. In the third Cl site, Cl(3) is bonded to two equivalent Na(1), one Cl(1), and one Cl(2) atom to form distorted corner-sharing ClNa2Cl2 tetrahedra. is represented by the CIF card [CIF]
data_NaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   8.000
_cell_length_c   8.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.152
_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
  Na  Na0  1  0.250  0.051  0.821  1.0
  Na  Na1  1  0.250  0.449  0.321  1.0
  Na  Na2  1  0.750  0.949  0.179  1.0
  Na  Na3  1  0.750  0.551  0.679  1.0
  Cl  Cl4  1  0.250  0.358  0.642  1.0
  Cl  Cl5  1  0.250  0.142  0.142  1.0
  Cl  Cl6  1  0.750  0.642  0.358  1.0
  Cl  Cl7  1  0.750  0.858  0.858  1.0
  Cl  Cl8  1  0.250  0.788  0.581  1.0
  Cl  Cl9  1  0.250  0.712  0.081  1.0
  Cl  Cl10  1  0.750  0.212  0.419  1.0
  Cl  Cl11  1  0.750  0.288  0.919  1.0
  Cl  Cl12  1  0.250  0.551  0.880  1.0
  Cl  Cl13  1  0.250  0.949  0.380  1.0
  Cl  Cl14  1  0.750  0.449  0.120  1.0
  Cl  Cl15  1  0.750  0.051  0.620  1.0
[/CIF]
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The compound described by NaCl3 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one Cl(2), two equivalent Cl(3), and four equivalent Cl(1) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a distorted L-shaped geometry to one Na(1) and one Cl(3) atom. In the second Cl site, Cl(1) is bonded in a 5-coordinate geometry to four equivalent Na(1) and one Cl(3) atom. In the third Cl site, Cl(3) is bonded to two equivalent Na(1), one Cl(1), and one Cl(2) atom to form distorted corner-sharing ClNa2Cl2 tetrahedra. is represented by the CIF card [CIF]
data_NaCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.631
_cell_length_b   8.000
_cell_length_c   8.416
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   379.152
_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
  Na  Na0  1  0.250  0.051  0.821  1.0
  Na  Na1  1  0.250  0.449  0.321  1.0
  Na  Na2  1  0.750  0.949  0.179  1.0
  Na  Na3  1  0.750  0.551  0.679  1.0
  Cl  Cl4  1  0.250  0.358  0.642  1.0
  Cl  Cl5  1  0.250  0.142  0.142  1.0
  Cl  Cl6  1  0.750  0.642  0.358  1.0
  Cl  Cl7  1  0.750  0.858  0.858  1.0
  Cl  Cl8  1  0.250  0.788  0.581  1.0
  Cl  Cl9  1  0.250  0.712  0.081  1.0
  Cl  Cl10  1  0.750  0.212  0.419  1.0
  Cl  Cl11  1  0.750  0.288  0.919  1.0
  Cl  Cl12  1  0.250  0.551  0.880  1.0
  Cl  Cl13  1  0.250  0.949  0.380  1.0
  Cl  Cl14  1  0.750  0.449  0.120  1.0
  Cl  Cl15  1  0.750  0.051  0.620  1.0
[/CIF]
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