The structure described by KNa3H4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to six H(2,2,2) atoms to form KH6 octahedra that share corners with six equivalent K(1)H6 octahedra and edges with twelve equivalent Na(1)H6 octahedra. The corner-sharing octahedra are not tilted. Na(1) is bonded to two equivalent H(1) and four H(2,2) atoms to form NaH6 octahedra that share corners with six equivalent Na(1)H6 octahedra, edges with four equivalent K(1)H6 octahedra, and edges with eight equivalent Na(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Na(1) atoms to form HNa6 octahedra that share corners with six equivalent H(1)Na6 octahedra and edges with twelve H(2,2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the third H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa3H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.111
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.500  0.500  0.000  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.000  0.500  0.500  1.0
[/CIF]
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The structure described by KNa3H4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. K(1) is bonded to six H(2,2,2) atoms to form KH6 octahedra that share corners with six equivalent K(1)H6 octahedra and edges with twelve equivalent Na(1)H6 octahedra. The corner-sharing octahedra are not tilted. Na(1) is bonded to two equivalent H(1) and four H(2,2) atoms to form NaH6 octahedra that share corners with six equivalent Na(1)H6 octahedra, edges with four equivalent K(1)H6 octahedra, and edges with eight equivalent Na(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent H sites. In the first H site, H(1) is bonded to six equivalent Na(1) atoms to form HNa6 octahedra that share corners with six equivalent H(1)Na6 octahedra and edges with twelve H(2,2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the second H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the third H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. In the fourth H site, H(2) is bonded to two equivalent K(1) and four equivalent Na(1) atoms to form HK2Na4 octahedra that share corners with six equivalent H(2)K2Na4 octahedra; edges with four equivalent H(1)Na6 octahedra; and edges with eight H(2,2)K2Na4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNa3H4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   5.119
_cell_length_c   5.119
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   134.111
_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  0.500  0.500  0.500  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  Na  Na2  1  0.000  0.500  0.000  1.0
  Na  Na3  1  0.500  0.000  0.000  1.0
  H  H4  1  0.000  0.000  0.000  1.0
  H  H5  1  0.500  0.500  0.000  1.0
  H  H6  1  0.500  0.000  0.500  1.0
  H  H7  1  0.000  0.500  0.500  1.0
[/CIF]
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