The material structure described by K3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent Sm(1) atoms to form KK8Sm4 cuboctahedra that share corners with twelve equivalent K(1)K8Sm4 cuboctahedra, edges with eight equivalent K(1)K8Sm4 cuboctahedra, edges with eight equivalent Sm(1)K12 cuboctahedra, faces with four equivalent Sm(1)K12 cuboctahedra, and faces with ten equivalent K(1)K8Sm4 cuboctahedra. In the second K site, K(2) is bonded in a distorted square co-planar geometry to eight equivalent K(1) and four equivalent Sm(1) atoms. Sm(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form SmK12 cuboctahedra that share corners with four equivalent Sm(1)K12 cuboctahedra, edges with eight equivalent Sm(1)K12 cuboctahedra, edges with sixteen equivalent K(1)K8Sm4 cuboctahedra, faces with four equivalent Sm(1)K12 cuboctahedra, and faces with eight equivalent K(1)K8Sm4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.805
_cell_length_b   7.805
_cell_length_c   7.805
_cell_angle_alpha   135.532
_cell_angle_beta   135.532
_cell_angle_gamma   64.705
_symmetry_Int_Tables_number   1
_cell_volume   229.996
_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  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by K3Sm is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent K(1), four equivalent K(2), and four equivalent Sm(1) atoms to form KK8Sm4 cuboctahedra that share corners with twelve equivalent K(1)K8Sm4 cuboctahedra, edges with eight equivalent K(1)K8Sm4 cuboctahedra, edges with eight equivalent Sm(1)K12 cuboctahedra, faces with four equivalent Sm(1)K12 cuboctahedra, and faces with ten equivalent K(1)K8Sm4 cuboctahedra. In the second K site, K(2) is bonded in a distorted square co-planar geometry to eight equivalent K(1) and four equivalent Sm(1) atoms. Sm(1) is bonded to four equivalent K(2) and eight equivalent K(1) atoms to form SmK12 cuboctahedra that share corners with four equivalent Sm(1)K12 cuboctahedra, edges with eight equivalent Sm(1)K12 cuboctahedra, edges with sixteen equivalent K(1)K8Sm4 cuboctahedra, faces with four equivalent Sm(1)K12 cuboctahedra, and faces with eight equivalent K(1)K8Sm4 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Sm
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.805
_cell_length_b   7.805
_cell_length_c   7.805
_cell_angle_alpha   135.532
_cell_angle_beta   135.532
_cell_angle_gamma   64.705
_symmetry_Int_Tables_number   1
_cell_volume   229.996
_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  0.250  0.500  1.0
  K  K1  1  0.250  0.750  0.500  1.0
  K  K2  1  0.500  0.500  0.000  1.0
  Sm  Sm3  1  0.000  0.000  0.000  1.0
[/CIF]
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