The material structure described by FeAgAs(N3S2)2 crystallizes in the tetragonal P-4n2 space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ag(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. As(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Fe(1), one N(2), and one S(1) atom. In the second N site, N(2) is bonded in a water-like geometry to two equivalent N(1) atoms. S(1) is bonded in a distorted L-shaped geometry to one Ag(1), one As(1), and one N(1) atom. is represented by the CIF card [CIF]
data_FeAgAs(S2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   10.001
_cell_length_c   6.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.259
_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
  Fe  Fe0  1  0.000  0.500  0.750  1.0
  Fe  Fe1  1  0.500  0.000  0.250  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.500  0.500  0.500  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.590  0.356  0.287  1.0
  S  S7  1  0.910  0.856  0.787  1.0
  S  S8  1  0.356  0.410  0.713  1.0
  S  S9  1  0.144  0.910  0.213  1.0
  S  S10  1  0.410  0.644  0.287  1.0
  S  S11  1  0.090  0.144  0.787  1.0
  S  S12  1  0.644  0.590  0.713  1.0
  S  S13  1  0.856  0.090  0.213  1.0
  N  N14  1  0.951  0.347  0.875  1.0
  N  N15  1  0.549  0.847  0.375  1.0
  N  N16  1  0.347  0.049  0.125  1.0
  N  N17  1  0.153  0.549  0.625  1.0
  N  N18  1  0.049  0.653  0.875  1.0
  N  N19  1  0.451  0.153  0.375  1.0
  N  N20  1  0.653  0.951  0.125  1.0
  N  N21  1  0.847  0.451  0.625  1.0
  N  N22  1  0.154  0.654  0.750  1.0
  N  N23  1  0.346  0.154  0.250  1.0
  N  N24  1  0.654  0.846  0.250  1.0
  N  N25  1  0.846  0.346  0.750  1.0
[/CIF]
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The material structure described by FeAgAs(N3S2)2 crystallizes in the tetragonal P-4n2 space group. Fe(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. Ag(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. As(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 2-coordinate geometry to one Fe(1), one N(2), and one S(1) atom. In the second N site, N(2) is bonded in a water-like geometry to two equivalent N(1) atoms. S(1) is bonded in a distorted L-shaped geometry to one Ag(1), one As(1), and one N(1) atom. is represented by the CIF card [CIF]
data_FeAgAs(S2N3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.001
_cell_length_b   10.001
_cell_length_c   6.592
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   659.259
_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
  Fe  Fe0  1  0.000  0.500  0.750  1.0
  Fe  Fe1  1  0.500  0.000  0.250  1.0
  Ag  Ag2  1  0.500  0.500  0.000  1.0
  Ag  Ag3  1  0.000  0.000  0.500  1.0
  As  As4  1  0.500  0.500  0.500  1.0
  As  As5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.590  0.356  0.287  1.0
  S  S7  1  0.910  0.856  0.787  1.0
  S  S8  1  0.356  0.410  0.713  1.0
  S  S9  1  0.144  0.910  0.213  1.0
  S  S10  1  0.410  0.644  0.287  1.0
  S  S11  1  0.090  0.144  0.787  1.0
  S  S12  1  0.644  0.590  0.713  1.0
  S  S13  1  0.856  0.090  0.213  1.0
  N  N14  1  0.951  0.347  0.875  1.0
  N  N15  1  0.549  0.847  0.375  1.0
  N  N16  1  0.347  0.049  0.125  1.0
  N  N17  1  0.153  0.549  0.625  1.0
  N  N18  1  0.049  0.653  0.875  1.0
  N  N19  1  0.451  0.153  0.375  1.0
  N  N20  1  0.653  0.951  0.125  1.0
  N  N21  1  0.847  0.451  0.625  1.0
  N  N22  1  0.154  0.654  0.750  1.0
  N  N23  1  0.346  0.154  0.250  1.0
  N  N24  1  0.654  0.846  0.250  1.0
  N  N25  1  0.846  0.346  0.750  1.0
[/CIF]
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