The material described by SmAuAs2 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted SmAs8Au4 cuboctahedra that share corners with four equivalent Sm(1)As8Au4 cuboctahedra, edges with eight equivalent Sm(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Sm4As4Au4 cuboctahedra, faces with four equivalent Sm(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Sm4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Sm(1), four equivalent Au(1), and four equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with eight equivalent Sm(1)As8Au4 cuboctahedra, faces with four equivalent Sm(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Sm4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.091
_cell_length_b   4.108
_cell_length_c   20.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.191
_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  0.750  0.728  0.617  1.0
  Sm  Sm1  1  0.250  0.228  0.883  1.0
  Sm  Sm2  1  0.750  0.772  0.117  1.0
  Sm  Sm3  1  0.250  0.272  0.383  1.0
  As  As4  1  0.750  0.205  0.502  1.0
  As  As5  1  0.250  0.227  0.656  1.0
  As  As6  1  0.750  0.727  0.844  1.0
  As  As7  1  0.250  0.705  0.998  1.0
  As  As8  1  0.750  0.295  0.002  1.0
  As  As9  1  0.250  0.273  0.156  1.0
  As  As10  1  0.750  0.773  0.344  1.0
  As  As11  1  0.250  0.795  0.498  1.0
  Au  Au12  1  0.750  0.223  0.750  1.0
  Au  Au13  1  0.250  0.723  0.750  1.0
  Au  Au14  1  0.750  0.277  0.250  1.0
  Au  Au15  1  0.250  0.777  0.250  1.0
[/CIF]
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The material described by SmAuAs2 crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms to form distorted SmAs8Au4 cuboctahedra that share corners with four equivalent Sm(1)As8Au4 cuboctahedra, edges with eight equivalent Sm(1)As8Au4 cuboctahedra, edges with eight equivalent Au(1)Sm4As4Au4 cuboctahedra, faces with four equivalent Sm(1)As8Au4 cuboctahedra, and faces with four equivalent Au(1)Sm4As4Au4 cuboctahedra. Au(1) is bonded to four equivalent Sm(1), four equivalent Au(1), and four equivalent As(2) atoms to form distorted AuSm4As4Au4 cuboctahedra that share corners with four equivalent Au(1)Sm4As4Au4 cuboctahedra, edges with eight equivalent Sm(1)As8Au4 cuboctahedra, faces with four equivalent Sm(1)As8Au4 cuboctahedra, and faces with eight equivalent Au(1)Sm4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 6-coordinate geometry to four equivalent Sm(1) and two equivalent As(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent Au(1) atoms. is represented by the CIF card [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.091
_cell_length_b   4.108
_cell_length_c   20.602
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   346.191
_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  0.750  0.728  0.617  1.0
  Sm  Sm1  1  0.250  0.228  0.883  1.0
  Sm  Sm2  1  0.750  0.772  0.117  1.0
  Sm  Sm3  1  0.250  0.272  0.383  1.0
  As  As4  1  0.750  0.205  0.502  1.0
  As  As5  1  0.250  0.227  0.656  1.0
  As  As6  1  0.750  0.727  0.844  1.0
  As  As7  1  0.250  0.705  0.998  1.0
  As  As8  1  0.750  0.295  0.002  1.0
  As  As9  1  0.250  0.273  0.156  1.0
  As  As10  1  0.750  0.773  0.344  1.0
  As  As11  1  0.250  0.795  0.498  1.0
  Au  Au12  1  0.750  0.223  0.750  1.0
  Au  Au13  1  0.250  0.723  0.750  1.0
  Au  Au14  1  0.750  0.277  0.250  1.0
  Au  Au15  1  0.250  0.777  0.250  1.0
[/CIF]
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