The material structure described by KNa4Cl5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. K(1) is bonded to two equivalent Cl(3) and four equivalent Cl(1) atoms to form KCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with four equivalent Na(2)Cl6 octahedra, edges with two equivalent K(1)Cl6 octahedra, edges with two equivalent Na(2)Cl6 octahedra, and edges with eight equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NaCl6 octahedra that share corners with two equivalent Na(2)Cl6 octahedra, corners with four equivalent Na(1)Cl6 octahedra, edges with three equivalent Na(1)Cl6 octahedra, edges with four equivalent K(1)Cl6 octahedra, and edges with five equivalent Na(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Na site, Na(2) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with two equivalent Na(1)Cl6 octahedra, corners with two equivalent Na(2)Cl6 octahedra,  an edgeedge with one K(1)Cl6 octahedra, edges with five equivalent Na(1)Cl6 octahedra, and edges with six equivalent Na(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Na(2) atoms to form ClK2Na4 octahedra that share corners with two equivalent Cl(2)Na6 octahedra, corners with four equivalent Cl(1)K2Na4 octahedra, edges with three equivalent Cl(1)K2Na4 octahedra, edges with four equivalent Cl(3)K2Na4 octahedra, and edges with five equivalent Cl(2)Na6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cl site, Cl(2) is bonded to two equivalent Na(1) and four equivalent Na(2) atoms to form ClNa6 octahedra that share corners with two equivalent Cl(1)K2Na4 octahedra, corners with two equivalent Cl(3)K2Na4 octahedra, corners with two equivalent Cl(2)Na6 octahedra,  an edgeedge with one Cl(3)K2Na4 octahedra, edges with five equivalent Cl(1)K2Na4 octahedra, and edges with six equivalent Cl(2)Na6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Cl site, Cl(3) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form ClK2Na4 octahedra that share corners with two equivalent Cl(3)K2Na4 octahedra, corners with four equivalent Cl(2)Na6 octahedra, edges with two equivalent Cl(3)K2Na4 octahedra, edges with two equivalent Cl(2)Na6 octahedra, and edges with eight equivalent Cl(1)K2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.782
_cell_length_b   10.782
_cell_length_c   10.782
_cell_angle_alpha   158.475
_cell_angle_beta   148.729
_cell_angle_gamma   38.281
_symmetry_Int_Tables_number   1
_cell_volume   238.363
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.603  0.603  0.000  1.0
  Na  Na2  1  0.205  0.205  0.000  1.0
  Na  Na3  1  0.795  0.795  0.000  1.0
  Na  Na4  1  0.397  0.397  0.000  1.0
  Cl  Cl5  1  0.888  0.388  0.500  1.0
  Cl  Cl6  1  0.699  0.199  0.500  1.0
  Cl  Cl7  1  0.301  0.801  0.500  1.0
  Cl  Cl8  1  0.500  0.000  0.500  1.0
  Cl  Cl9  1  0.112  0.612  0.500  1.0
[/CIF]
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The material structure described by KNa4Cl5 is Caswellsilverite-like structured and crystallizes in the orthorhombic Immm space group. K(1) is bonded to two equivalent Cl(3) and four equivalent Cl(1) atoms to form KCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with four equivalent Na(2)Cl6 octahedra, edges with two equivalent K(1)Cl6 octahedra, edges with two equivalent Na(2)Cl6 octahedra, and edges with eight equivalent Na(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms to form NaCl6 octahedra that share corners with two equivalent Na(2)Cl6 octahedra, corners with four equivalent Na(1)Cl6 octahedra, edges with three equivalent Na(1)Cl6 octahedra, edges with four equivalent K(1)Cl6 octahedra, and edges with five equivalent Na(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Na site, Na(2) is bonded to two equivalent Cl(1) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with two equivalent Na(1)Cl6 octahedra, corners with two equivalent Na(2)Cl6 octahedra,  an edgeedge with one K(1)Cl6 octahedra, edges with five equivalent Na(1)Cl6 octahedra, and edges with six equivalent Na(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(1), two equivalent Na(1), and two equivalent Na(2) atoms to form ClK2Na4 octahedra that share corners with two equivalent Cl(2)Na6 octahedra, corners with four equivalent Cl(1)K2Na4 octahedra, edges with three equivalent Cl(1)K2Na4 octahedra, edges with four equivalent Cl(3)K2Na4 octahedra, and edges with five equivalent Cl(2)Na6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second Cl site, Cl(2) is bonded to two equivalent Na(1) and four equivalent Na(2) atoms to form ClNa6 octahedra that share corners with two equivalent Cl(1)K2Na4 octahedra, corners with two equivalent Cl(3)K2Na4 octahedra, corners with two equivalent Cl(2)Na6 octahedra,  an edgeedge with one Cl(3)K2Na4 octahedra, edges with five equivalent Cl(1)K2Na4 octahedra, and edges with six equivalent Cl(2)Na6 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the third Cl site, Cl(3) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form ClK2Na4 octahedra that share corners with two equivalent Cl(3)K2Na4 octahedra, corners with four equivalent Cl(2)Na6 octahedra, edges with two equivalent Cl(3)K2Na4 octahedra, edges with two equivalent Cl(2)Na6 octahedra, and edges with eight equivalent Cl(1)K2Na4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa4Cl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.782
_cell_length_b   10.782
_cell_length_c   10.782
_cell_angle_alpha   158.475
_cell_angle_beta   148.729
_cell_angle_gamma   38.281
_symmetry_Int_Tables_number   1
_cell_volume   238.363
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Na  Na1  1  0.603  0.603  0.000  1.0
  Na  Na2  1  0.205  0.205  0.000  1.0
  Na  Na3  1  0.795  0.795  0.000  1.0
  Na  Na4  1  0.397  0.397  0.000  1.0
  Cl  Cl5  1  0.888  0.388  0.500  1.0
  Cl  Cl6  1  0.699  0.199  0.500  1.0
  Cl  Cl7  1  0.301  0.801  0.500  1.0
  Cl  Cl8  1  0.500  0.000  0.500  1.0
  Cl  Cl9  1  0.112  0.612  0.500  1.0
[/CIF]
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