The material structure described by K2NaAsBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Na(1)Br6 octahedra, and faces with four equivalent As(1)Br6 octahedra. Na(1) is bonded to six equivalent Br(1) atoms to form NaBr6 octahedra that share corners with six equivalent As(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent Br(1) atoms to form AsBr6 octahedra that share corners with six equivalent Na(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to four equivalent K(1), one Na(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K2NaAsBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.849
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   341.977
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.760  0.240  0.240  1.0
  Br  Br5  1  0.240  0.240  0.760  1.0
  Br  Br6  1  0.240  0.760  0.760  1.0
  Br  Br7  1  0.240  0.760  0.240  1.0
  Br  Br8  1  0.760  0.240  0.760  1.0
  Br  Br9  1  0.760  0.760  0.240  1.0
[/CIF]
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The material structure described by K2NaAsBr6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. K(1) is bonded to twelve equivalent Br(1) atoms to form KBr12 cuboctahedra that share corners with twelve equivalent K(1)Br12 cuboctahedra, faces with six equivalent K(1)Br12 cuboctahedra, faces with four equivalent Na(1)Br6 octahedra, and faces with four equivalent As(1)Br6 octahedra. Na(1) is bonded to six equivalent Br(1) atoms to form NaBr6 octahedra that share corners with six equivalent As(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. As(1) is bonded to six equivalent Br(1) atoms to form AsBr6 octahedra that share corners with six equivalent Na(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Br(1) is bonded in a linear geometry to four equivalent K(1), one Na(1), and one As(1) atom. is represented by the CIF card [CIF]
data_K2NaAsBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.849
_cell_length_b   7.849
_cell_length_c   7.849
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   341.977
_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  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Na  Na2  1  0.500  0.500  0.500  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.760  0.240  0.240  1.0
  Br  Br5  1  0.240  0.240  0.760  1.0
  Br  Br6  1  0.240  0.760  0.760  1.0
  Br  Br7  1  0.240  0.760  0.240  1.0
  Br  Br8  1  0.760  0.240  0.760  1.0
  Br  Br9  1  0.760  0.760  0.240  1.0
[/CIF]
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