The material structure described by Sm5Si3C crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Sm site, Sm(2) is bonded in a 2-coordinate geometry to five equivalent Si(1) and two equivalent C(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Sm(1) and five equivalent Sm(2) atoms. C(1) is bonded to six equivalent Sm(2) atoms to form face-sharing CSm6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.658
_cell_length_b   8.658
_cell_length_c   6.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   428.530
_cell_formula_units_Z   2
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  0.667  0.333  0.000  1.0
  Sm  Sm1  1  0.333  0.667  0.000  1.0
  Sm  Sm2  1  0.333  0.667  0.500  1.0
  Sm  Sm3  1  0.667  0.333  0.500  1.0
  Sm  Sm4  1  0.775  0.775  0.750  1.0
  Sm  Sm5  1  0.225  0.000  0.750  1.0
  Sm  Sm6  1  0.000  0.225  0.750  1.0
  Sm  Sm7  1  0.225  0.225  0.250  1.0
  Sm  Sm8  1  0.775  0.000  0.250  1.0
  Sm  Sm9  1  0.000  0.775  0.250  1.0
  Si  Si10  1  0.408  0.408  0.750  1.0
  Si  Si11  1  0.592  0.000  0.750  1.0
  Si  Si12  1  0.000  0.592  0.750  1.0
  Si  Si13  1  0.592  0.592  0.250  1.0
  Si  Si14  1  0.408  0.000  0.250  1.0
  Si  Si15  1  0.000  0.408  0.250  1.0
  C  C16  1  0.000  0.000  0.000  1.0
  C  C17  1  0.000  0.000  0.500  1.0
[/CIF]
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The material structure described by Sm5Si3C crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to six equivalent Si(1) atoms. In the second Sm site, Sm(2) is bonded in a 2-coordinate geometry to five equivalent Si(1) and two equivalent C(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Sm(1) and five equivalent Sm(2) atoms. C(1) is bonded to six equivalent Sm(2) atoms to form face-sharing CSm6 octahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm5Si3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.658
_cell_length_b   8.658
_cell_length_c   6.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   428.530
_cell_formula_units_Z   2
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  0.667  0.333  0.000  1.0
  Sm  Sm1  1  0.333  0.667  0.000  1.0
  Sm  Sm2  1  0.333  0.667  0.500  1.0
  Sm  Sm3  1  0.667  0.333  0.500  1.0
  Sm  Sm4  1  0.775  0.775  0.750  1.0
  Sm  Sm5  1  0.225  0.000  0.750  1.0
  Sm  Sm6  1  0.000  0.225  0.750  1.0
  Sm  Sm7  1  0.225  0.225  0.250  1.0
  Sm  Sm8  1  0.775  0.000  0.250  1.0
  Sm  Sm9  1  0.000  0.775  0.250  1.0
  Si  Si10  1  0.408  0.408  0.750  1.0
  Si  Si11  1  0.592  0.000  0.750  1.0
  Si  Si12  1  0.000  0.592  0.750  1.0
  Si  Si13  1  0.592  0.592  0.250  1.0
  Si  Si14  1  0.408  0.000  0.250  1.0
  Si  Si15  1  0.000  0.408  0.250  1.0
  C  C16  1  0.000  0.000  0.000  1.0
  C  C17  1  0.000  0.000  0.500  1.0
[/CIF]
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