The material described by K4NaCl5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Cl(2), two equivalent Cl(1), and three equivalent Cl(3) atoms to form KCl6 octahedra that share  a cornercorner with one Na(1)Cl6 octahedra, corners with two equivalent K(1)Cl6 octahedra, corners with three equivalent K(2)Cl6 octahedra, edges with two equivalent Na(1)Cl6 octahedra, edges with five equivalent K(1)Cl6 octahedra, and edges with five equivalent K(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second K site, K(2) is bonded to one Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form KCl6 octahedra that share  a cornercorner with one K(2)Cl6 octahedra, corners with two equivalent Na(1)Cl6 octahedra, corners with three equivalent K(1)Cl6 octahedra, edges with three equivalent Na(1)Cl6 octahedra, edges with four equivalent K(2)Cl6 octahedra, and edges with five equivalent K(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Na(1) is bonded to two equivalent Cl(3) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with four equivalent K(2)Cl6 octahedra, edges with two equivalent Na(1)Cl6 octahedra, edges with four equivalent K(1)Cl6 octahedra, and edges with six equivalent K(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form ClK6 octahedra that share corners with two equivalent Cl(2)K4Na2 octahedra, corners with four equivalent Cl(3)K5Na octahedra, edges with two equivalent Cl(1)K6 octahedra, edges with four equivalent Cl(2)K4Na2 octahedra, and edges with six equivalent Cl(3)K5Na octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Cl site, Cl(2) is bonded to one K(1), three equivalent K(2), and two equivalent Na(1) atoms to form ClK4Na2 octahedra that share  a cornercorner with one Cl(1)K6 octahedra, corners with two equivalent Cl(2)K4Na2 octahedra, corners with three equivalent Cl(3)K5Na octahedra, edges with two equivalent Cl(1)K6 octahedra, edges with five equivalent Cl(2)K4Na2 octahedra, and edges with five equivalent Cl(3)K5Na octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Cl site, Cl(3) is bonded to two equivalent K(2), three equivalent K(1), and one Na(1) atom to form ClK5Na octahedra that share  a cornercorner with one Cl(3)K5Na octahedra, corners with two equivalent Cl(1)K6 octahedra, corners with three equivalent Cl(2)K4Na2 octahedra, edges with three equivalent Cl(1)K6 octahedra, edges with four equivalent Cl(3)K5Na octahedra, and edges with five equivalent Cl(2)K4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4NaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   7.552
_cell_length_c   10.695
_cell_angle_alpha   61.780
_cell_angle_beta   61.780
_cell_angle_gamma   33.453
_symmetry_Int_Tables_number   1
_cell_volume   292.413
_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  0.604  0.604  0.600  1.0
  K  K1  1  0.196  0.196  0.193  1.0
  K  K2  1  0.804  0.804  0.807  1.0
  K  K3  1  0.396  0.396  0.400  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.000  0.000  0.500  1.0
  Cl  Cl6  1  0.589  0.589  0.091  1.0
  Cl  Cl7  1  0.194  0.194  0.716  1.0
  Cl  Cl8  1  0.806  0.806  0.284  1.0
  Cl  Cl9  1  0.411  0.411  0.909  1.0
[/CIF]
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The material described by K4NaCl5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to one Cl(2), two equivalent Cl(1), and three equivalent Cl(3) atoms to form KCl6 octahedra that share  a cornercorner with one Na(1)Cl6 octahedra, corners with two equivalent K(1)Cl6 octahedra, corners with three equivalent K(2)Cl6 octahedra, edges with two equivalent Na(1)Cl6 octahedra, edges with five equivalent K(1)Cl6 octahedra, and edges with five equivalent K(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. In the second K site, K(2) is bonded to one Cl(1), two equivalent Cl(3), and three equivalent Cl(2) atoms to form KCl6 octahedra that share  a cornercorner with one K(2)Cl6 octahedra, corners with two equivalent Na(1)Cl6 octahedra, corners with three equivalent K(1)Cl6 octahedra, edges with three equivalent Na(1)Cl6 octahedra, edges with four equivalent K(2)Cl6 octahedra, and edges with five equivalent K(1)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 0-9°. Na(1) is bonded to two equivalent Cl(3) and four equivalent Cl(2) atoms to form NaCl6 octahedra that share corners with two equivalent K(1)Cl6 octahedra, corners with four equivalent K(2)Cl6 octahedra, edges with two equivalent Na(1)Cl6 octahedra, edges with four equivalent K(1)Cl6 octahedra, and edges with six equivalent K(2)Cl6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to two equivalent K(2) and four equivalent K(1) atoms to form ClK6 octahedra that share corners with two equivalent Cl(2)K4Na2 octahedra, corners with four equivalent Cl(3)K5Na octahedra, edges with two equivalent Cl(1)K6 octahedra, edges with four equivalent Cl(2)K4Na2 octahedra, and edges with six equivalent Cl(3)K5Na octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Cl site, Cl(2) is bonded to one K(1), three equivalent K(2), and two equivalent Na(1) atoms to form ClK4Na2 octahedra that share  a cornercorner with one Cl(1)K6 octahedra, corners with two equivalent Cl(2)K4Na2 octahedra, corners with three equivalent Cl(3)K5Na octahedra, edges with two equivalent Cl(1)K6 octahedra, edges with five equivalent Cl(2)K4Na2 octahedra, and edges with five equivalent Cl(3)K5Na octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third Cl site, Cl(3) is bonded to two equivalent K(2), three equivalent K(1), and one Na(1) atom to form ClK5Na octahedra that share  a cornercorner with one Cl(3)K5Na octahedra, corners with two equivalent Cl(1)K6 octahedra, corners with three equivalent Cl(2)K4Na2 octahedra, edges with three equivalent Cl(1)K6 octahedra, edges with four equivalent Cl(3)K5Na octahedra, and edges with five equivalent Cl(2)K4Na2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the Crystallographic Information File (CIF) [CIF]
data_K4NaCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.552
_cell_length_b   7.552
_cell_length_c   10.695
_cell_angle_alpha   61.780
_cell_angle_beta   61.780
_cell_angle_gamma   33.453
_symmetry_Int_Tables_number   1
_cell_volume   292.413
_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  0.604  0.604  0.600  1.0
  K  K1  1  0.196  0.196  0.193  1.0
  K  K2  1  0.804  0.804  0.807  1.0
  K  K3  1  0.396  0.396  0.400  1.0
  Na  Na4  1  0.000  0.000  0.000  1.0
  Cl  Cl5  1  0.000  0.000  0.500  1.0
  Cl  Cl6  1  0.589  0.589  0.091  1.0
  Cl  Cl7  1  0.194  0.194  0.716  1.0
  Cl  Cl8  1  0.806  0.806  0.284  1.0
  Cl  Cl9  1  0.411  0.411  0.909  1.0
[/CIF]
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