The material structure described by Sm3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Ag(1) atoms to form distorted SmSm8Ag4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Ag4 cuboctahedra, edges with eight equivalent Sm(1)Sm8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Sm12 cuboctahedra, faces with four equivalent Ag(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Ag4 cuboctahedra. In the second Sm site, Sm(2) is bonded in a square co-planar geometry to eight equivalent Sm(1) and four equivalent Ag(1) atoms. Ag(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form AgSm12 cuboctahedra that share corners with four equivalent Ag(1)Sm12 cuboctahedra, edges with eight equivalent Ag(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Ag4 cuboctahedra, faces with four equivalent Ag(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Ag4 cuboctahedra. is represented by the CIF card [CIF]
data_Sm3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   134.810
_cell_angle_beta   134.810
_cell_angle_gamma   65.826
_symmetry_Int_Tables_number   1
_cell_volume   115.014
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Sm3Ag is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to four equivalent Sm(1), four equivalent Sm(2), and four equivalent Ag(1) atoms to form distorted SmSm8Ag4 cuboctahedra that share corners with twelve equivalent Sm(1)Sm8Ag4 cuboctahedra, edges with eight equivalent Sm(1)Sm8Ag4 cuboctahedra, edges with eight equivalent Ag(1)Sm12 cuboctahedra, faces with four equivalent Ag(1)Sm12 cuboctahedra, and faces with ten equivalent Sm(1)Sm8Ag4 cuboctahedra. In the second Sm site, Sm(2) is bonded in a square co-planar geometry to eight equivalent Sm(1) and four equivalent Ag(1) atoms. Ag(1) is bonded to four equivalent Sm(2) and eight equivalent Sm(1) atoms to form AgSm12 cuboctahedra that share corners with four equivalent Ag(1)Sm12 cuboctahedra, edges with eight equivalent Ag(1)Sm12 cuboctahedra, edges with sixteen equivalent Sm(1)Sm8Ag4 cuboctahedra, faces with four equivalent Ag(1)Sm12 cuboctahedra, and faces with eight equivalent Sm(1)Sm8Ag4 cuboctahedra. is represented by the CIF card [CIF]
data_Sm3Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.145
_cell_length_b   6.145
_cell_length_c   6.145
_cell_angle_alpha   134.810
_cell_angle_beta   134.810
_cell_angle_gamma   65.826
_symmetry_Int_Tables_number   1
_cell_volume   115.014
_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
  Sm  Sm0  1  0.750  0.250  0.500  1.0
  Sm  Sm1  1  0.250  0.750  0.500  1.0
  Sm  Sm2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.000  1.0
[/CIF]
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