The crystal structure described by SmPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to six equivalent Pt(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. In the second Sm site, Sm(2) is bonded to six equivalent Pt(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. Pt(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_SmAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.300
_cell_length_b   4.300
_cell_length_c   15.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.613
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  Sm  Sm2  1  0.000  0.000  0.250  1.0
  Sm  Sm3  1  0.000  0.000  0.750  1.0
  As  As4  1  0.333  0.667  0.882  1.0
  As  As5  1  0.667  0.333  0.118  1.0
  As  As6  1  0.667  0.333  0.382  1.0
  As  As7  1  0.333  0.667  0.618  1.0
  Pt  Pt8  1  0.333  0.667  0.367  1.0
  Pt  Pt9  1  0.667  0.333  0.633  1.0
  Pt  Pt10  1  0.667  0.333  0.867  1.0
  Pt  Pt11  1  0.333  0.667  0.133  1.0
[/CIF]
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The crystal structure described by SmPtAs is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to six equivalent Pt(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. In the second Sm site, Sm(2) is bonded to six equivalent Pt(1) and six equivalent As(1) atoms to form a mixture of edge and face-sharing SmAs6Pt6 cuboctahedra. Pt(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent As(1) atoms. As(1) is bonded in a 9-coordinate geometry to three equivalent Sm(1), three equivalent Sm(2), and three equivalent Pt(1) atoms. is represented by the CIF file [CIF]
data_SmAsPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.300
_cell_length_b   4.300
_cell_length_c   15.774
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   252.613
_cell_formula_units_Z   4
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  0.000  0.000  0.500  1.0
  Sm  Sm1  1  0.000  0.000  0.000  1.0
  Sm  Sm2  1  0.000  0.000  0.250  1.0
  Sm  Sm3  1  0.000  0.000  0.750  1.0
  As  As4  1  0.333  0.667  0.882  1.0
  As  As5  1  0.667  0.333  0.118  1.0
  As  As6  1  0.667  0.333  0.382  1.0
  As  As7  1  0.333  0.667  0.618  1.0
  Pt  Pt8  1  0.333  0.667  0.367  1.0
  Pt  Pt9  1  0.667  0.333  0.633  1.0
  Pt  Pt10  1  0.667  0.333  0.867  1.0
  Pt  Pt11  1  0.333  0.667  0.133  1.0
[/CIF]
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