The compound described by SmAuAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Sm(1) is bonded in a 12-coordinate geometry to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms. Au(1) is bonded to four equivalent Sm(1), four equivalent Au(1), and four equivalent As(2) atoms to form a mixture of distorted face and corner-sharing AuSm4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four 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 Crystallographic Information File (CIF) [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   4.042
_cell_length_c   10.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.006
_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  0.250  0.250  0.231  1.0
  Sm  Sm1  1  0.750  0.750  0.769  1.0
  As  As2  1  0.250  0.750  0.000  1.0
  As  As3  1  0.750  0.250  0.000  1.0
  As  As4  1  0.750  0.750  0.317  1.0
  As  As5  1  0.250  0.250  0.683  1.0
  Au  Au6  1  0.250  0.750  0.500  1.0
  Au  Au7  1  0.750  0.250  0.500  1.0
[/CIF]
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The compound described by SmAuAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal P4/nmm space group. Sm(1) is bonded in a 12-coordinate geometry to four equivalent Au(1), four equivalent As(1), and four equivalent As(2) atoms. Au(1) is bonded to four equivalent Sm(1), four equivalent Au(1), and four equivalent As(2) atoms to form a mixture of distorted face and corner-sharing AuSm4As4Au4 cuboctahedra. There are two inequivalent As sites. In the first As site, As(1) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four 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 Crystallographic Information File (CIF) [CIF]
data_SmAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.042
_cell_length_b   4.042
_cell_length_c   10.345
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   169.006
_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  0.250  0.250  0.231  1.0
  Sm  Sm1  1  0.750  0.750  0.769  1.0
  As  As2  1  0.250  0.750  0.000  1.0
  As  As3  1  0.750  0.250  0.000  1.0
  As  As4  1  0.750  0.750  0.317  1.0
  As  As5  1  0.250  0.250  0.683  1.0
  Au  Au6  1  0.250  0.750  0.500  1.0
  Au  Au7  1  0.750  0.250  0.500  1.0
[/CIF]
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