The material structure described by SmAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted SmAs8Au4 cuboctahedra that share corners with four equivalent Sm(1)As8Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, edges with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with four equivalent Au(2)Sm4As4Au4 cuboctahedra, faces with two equivalent Au(1)Sm4As4Au4 cuboctahedra, and faces with two equivalent Au(2)Sm4As4Au4 cuboctahedra. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to two equivalent Au(1), two equivalent Au(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Au(1)Sm4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Sm4As4Au4 cuboctahedra. In the second Au site, Au(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Sm4As4Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Au(2)Sm4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Sm4As4Au4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), and three equivalent As(3) atoms. is represented by the CIF file [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   4.082
_cell_length_c   20.685
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.884
_symmetry_Int_Tables_number   1
_cell_volume   344.662
_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
  As  As0  1  0.734  0.234  0.657  1.0
  As  As1  1  0.266  0.766  0.343  1.0
  As  As2  1  0.234  0.734  0.843  1.0
  As  As3  1  0.766  0.266  0.157  1.0
  As  As4  1  0.276  0.224  0.500  1.0
  As  As5  1  0.224  0.276  0.000  1.0
  As  As6  1  0.724  0.776  0.500  1.0
  As  As7  1  0.776  0.724  0.000  1.0
  Au  Au8  1  0.231  0.231  0.750  1.0
  Au  Au9  1  0.269  0.269  0.250  1.0
  Au  Au10  1  0.769  0.769  0.250  1.0
  Au  Au11  1  0.731  0.731  0.750  1.0
  Sm  Sm12  1  0.235  0.735  0.617  1.0
  Sm  Sm13  1  0.765  0.265  0.383  1.0
  Sm  Sm14  1  0.735  0.235  0.883  1.0
  Sm  Sm15  1  0.265  0.765  0.117  1.0
[/CIF]
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The material structure described by SmAuAs2 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent Au(1), two equivalent Au(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms to form distorted SmAs8Au4 cuboctahedra that share corners with four equivalent Sm(1)As8Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, edges with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with four equivalent Au(2)Sm4As4Au4 cuboctahedra, faces with two equivalent Au(1)Sm4As4Au4 cuboctahedra, and faces with two equivalent Au(2)Sm4As4Au4 cuboctahedra. In the second Sm site, Sm(2) is bonded in a 12-coordinate geometry to two equivalent Au(1), two equivalent Au(2), two equivalent As(1), two equivalent As(2), and four equivalent As(3) atoms. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Au(1)Sm4As4Au4 cuboctahedra, and faces with six equivalent Au(2)Sm4As4Au4 cuboctahedra. In the second Au site, Au(2) is bonded to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), two equivalent Au(2), two equivalent As(1), and two equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(2)Sm4As4Au4 cuboctahedra, edges with four equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Sm(1)As8Au4 cuboctahedra, faces with two equivalent Au(2)Sm4As4Au4 cuboctahedra, and faces with six equivalent Au(1)Sm4As4Au4 cuboctahedra. There are three inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Au(1), and two equivalent Au(2) atoms. In the third As site, As(3) is bonded in a 7-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), and three equivalent As(3) atoms. is represented by the CIF file [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   4.082
_cell_length_c   20.685
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.884
_symmetry_Int_Tables_number   1
_cell_volume   344.662
_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
  As  As0  1  0.734  0.234  0.657  1.0
  As  As1  1  0.266  0.766  0.343  1.0
  As  As2  1  0.234  0.734  0.843  1.0
  As  As3  1  0.766  0.266  0.157  1.0
  As  As4  1  0.276  0.224  0.500  1.0
  As  As5  1  0.224  0.276  0.000  1.0
  As  As6  1  0.724  0.776  0.500  1.0
  As  As7  1  0.776  0.724  0.000  1.0
  Au  Au8  1  0.231  0.231  0.750  1.0
  Au  Au9  1  0.269  0.269  0.250  1.0
  Au  Au10  1  0.769  0.769  0.250  1.0
  Au  Au11  1  0.731  0.731  0.750  1.0
  Sm  Sm12  1  0.235  0.735  0.617  1.0
  Sm  Sm13  1  0.765  0.265  0.383  1.0
  Sm  Sm14  1  0.735  0.235  0.883  1.0
  Sm  Sm15  1  0.265  0.765  0.117  1.0
[/CIF]
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