The compound described by SmAgAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1), four equivalent As(1), and four equivalent As(2) atoms. Ag(1) is bonded to four equivalent Sm(1), four equivalent Ag(1), and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AgSm4Ag4As4 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 Ag(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent As(2) atoms. is represented by the CIF card [CIF]
data_SmAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   3.988
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   166.867
_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
  Ag  Ag0  1  0.250  0.250  0.500  1.0
  Ag  Ag1  1  0.750  0.750  0.500  1.0
  As  As2  1  0.750  0.250  0.679  1.0
  As  As3  1  0.250  0.750  0.321  1.0
  As  As4  1  0.750  0.750  0.999  1.0
  As  As5  1  0.250  0.250  0.001  1.0
  Sm  Sm6  1  0.250  0.750  0.772  1.0
  Sm  Sm7  1  0.750  0.250  0.228  1.0
[/CIF]
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The compound described by SmAgAs2 is Parent of FeAs superconductors-derived structured and crystallizes in the orthorhombic Pnma space group. Sm(1) is bonded in a 8-coordinate geometry to four equivalent Ag(1), four equivalent As(1), and four equivalent As(2) atoms. Ag(1) is bonded to four equivalent Sm(1), four equivalent Ag(1), and four equivalent As(1) atoms to form a mixture of distorted face and corner-sharing AgSm4Ag4As4 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 Ag(1) atoms. In the second As site, As(2) is bonded in a 8-coordinate geometry to four equivalent Sm(1) and four equivalent As(2) atoms. is represented by the CIF card [CIF]
data_SmAgAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   3.988
_cell_length_c   10.490
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   89.978
_symmetry_Int_Tables_number   1
_cell_volume   166.867
_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
  Ag  Ag0  1  0.250  0.250  0.500  1.0
  Ag  Ag1  1  0.750  0.750  0.500  1.0
  As  As2  1  0.750  0.250  0.679  1.0
  As  As3  1  0.250  0.750  0.321  1.0
  As  As4  1  0.750  0.750  0.999  1.0
  As  As5  1  0.250  0.250  0.001  1.0
  Sm  Sm6  1  0.250  0.750  0.772  1.0
  Sm  Sm7  1  0.750  0.250  0.228  1.0
[/CIF]
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