The material described by K2LiSbBr6 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 Li(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. Li(1) is bonded to six equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent Li(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 distorted linear geometry to four equivalent K(1), one Li(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K2LiSbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.823
_cell_length_c   7.823
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   338.591
_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
  Li  Li2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.746  0.254  0.254  1.0
  Br  Br5  1  0.254  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.746  1.0
  Br  Br7  1  0.254  0.746  0.254  1.0
  Br  Br8  1  0.746  0.254  0.746  1.0
  Br  Br9  1  0.746  0.746  0.254  1.0
[/CIF]
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The material described by K2LiSbBr6 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 Li(1)Br6 octahedra, and faces with four equivalent Sb(1)Br6 octahedra. Li(1) is bonded to six equivalent Br(1) atoms to form LiBr6 octahedra that share corners with six equivalent Sb(1)Br6 octahedra and faces with eight equivalent K(1)Br12 cuboctahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to six equivalent Br(1) atoms to form SbBr6 octahedra that share corners with six equivalent Li(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 distorted linear geometry to four equivalent K(1), one Li(1), and one Sb(1) atom. is represented by the CIF file [CIF]
data_K2LiSbBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.823
_cell_length_b   7.823
_cell_length_c   7.823
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   338.591
_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
  Li  Li2  1  0.500  0.500  0.500  1.0
  Sb  Sb3  1  0.000  0.000  0.000  1.0
  Br  Br4  1  0.746  0.254  0.254  1.0
  Br  Br5  1  0.254  0.254  0.746  1.0
  Br  Br6  1  0.254  0.746  0.746  1.0
  Br  Br7  1  0.254  0.746  0.254  1.0
  Br  Br8  1  0.746  0.254  0.746  1.0
  Br  Br9  1  0.746  0.746  0.254  1.0
[/CIF]
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