The material structure described by KSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form KSm12 cuboctahedra that share corners with four equivalent K(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)K4Sm8 cuboctahedra, edges with eight equivalent K(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)K4Sm8 cuboctahedra, faces with four equivalent K(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)K4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)K4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent K(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmK4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)K4Sm8 cuboctahedra, edges with eight equivalent K(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)K4Sm8 cuboctahedra, edges with eight equivalent Sm(2)K4Sm8 cuboctahedra, faces with four equivalent K(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)K4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)K4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent K(1) and eight equivalent Sm(1) atoms to form distorted SmK4Sm8 cuboctahedra that share corners with four equivalent Sm(2)K4Sm8 cuboctahedra, corners with eight equivalent K(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)K4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)K4Sm8 cuboctahedra, faces with four equivalent Sm(2)K4Sm8 cuboctahedra, faces with six equivalent K(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)K4Sm8 cuboctahedra. is represented by the CIF card [CIF]
data_KSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.617
_cell_length_c   6.617
_cell_angle_alpha   132.955
_cell_angle_beta   132.955
_cell_angle_gamma   68.724
_symmetry_Int_Tables_number   1
_cell_volume   152.413
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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The material structure described by KSm3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. K(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form KSm12 cuboctahedra that share corners with four equivalent K(1)Sm12 cuboctahedra, corners with eight equivalent Sm(2)K4Sm8 cuboctahedra, edges with eight equivalent K(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)K4Sm8 cuboctahedra, faces with four equivalent K(1)Sm12 cuboctahedra, faces with six equivalent Sm(2)K4Sm8 cuboctahedra, and faces with eight equivalent Sm(1)K4Sm8 cuboctahedra. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent K(1), four equivalent Sm(1), and four equivalent Sm(2) atoms to form SmK4Sm8 cuboctahedra that share corners with twelve equivalent Sm(1)K4Sm8 cuboctahedra, edges with eight equivalent K(1)Sm12 cuboctahedra, edges with eight equivalent Sm(1)K4Sm8 cuboctahedra, edges with eight equivalent Sm(2)K4Sm8 cuboctahedra, faces with four equivalent K(1)Sm12 cuboctahedra, faces with four equivalent Sm(2)K4Sm8 cuboctahedra, and faces with ten equivalent Sm(1)K4Sm8 cuboctahedra. In the second Sm site, Sm(2) is bonded to four equivalent K(1) and eight equivalent Sm(1) atoms to form distorted SmK4Sm8 cuboctahedra that share corners with four equivalent Sm(2)K4Sm8 cuboctahedra, corners with eight equivalent K(1)Sm12 cuboctahedra, edges with eight equivalent Sm(2)K4Sm8 cuboctahedra, edges with sixteen equivalent Sm(1)K4Sm8 cuboctahedra, faces with four equivalent Sm(2)K4Sm8 cuboctahedra, faces with six equivalent K(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)K4Sm8 cuboctahedra. is represented by the CIF card [CIF]
data_KSm3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.617
_cell_length_b   6.617
_cell_length_c   6.617
_cell_angle_alpha   132.955
_cell_angle_beta   132.955
_cell_angle_gamma   68.724
_symmetry_Int_Tables_number   1
_cell_volume   152.413
_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  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.750  0.250  0.500  1.0
  Sm  Sm2  1  0.250  0.750  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
[/CIF]
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