The material described by KNaH2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form KH6 octahedra that share corners with six equivalent K(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. Na(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form NaH6 octahedra that share corners with six equivalent Na(1)H6 octahedra, edges with four equivalent Na(1)H6 octahedra, and edges with eight equivalent K(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent K(1) and two equivalent Na(1) atoms to form HK4Na2 octahedra that share corners with six equivalent H(1)K4Na2 octahedra, edges with four equivalent H(1)K4Na2 octahedra, and edges with eight equivalent H(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(2)K2Na4 octahedra, and edges with eight equivalent H(1)K4Na2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KNaH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.783
_cell_length_b   3.783
_cell_length_c   5.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.397
_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  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  H  H2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by KNaH2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. K(1) is bonded to two equivalent H(2) and four equivalent H(1) atoms to form KH6 octahedra that share corners with six equivalent K(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. Na(1) is bonded to two equivalent H(1) and four equivalent H(2) atoms to form NaH6 octahedra that share corners with six equivalent Na(1)H6 octahedra, edges with four equivalent Na(1)H6 octahedra, and edges with eight equivalent K(1)H6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent K(1) and two equivalent Na(1) atoms to form HK4Na2 octahedra that share corners with six equivalent H(1)K4Na2 octahedra, edges with four equivalent H(1)K4Na2 octahedra, and edges with eight equivalent H(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(2)K2Na4 octahedra, and edges with eight equivalent H(1)K4Na2 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF card [CIF]
data_KNaH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.783
_cell_length_b   3.783
_cell_length_c   5.338
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   76.397
_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  0.000  1.0
  Na  Na1  1  0.000  0.000  0.500  1.0
  H  H2  1  0.000  0.000  0.000  1.0
  H  H3  1  0.500  0.500  0.500  1.0
[/CIF]
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