The crystal structure described by LuAgS2 crystallizes in the orthorhombic Ima2 space group. Lu(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Lu(1) and two equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SLu3Ag2 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_LuAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.032
_cell_angle_alpha   135.107
_cell_angle_beta   135.090
_cell_angle_gamma   65.377
_symmetry_Int_Tables_number   1
_cell_volume   170.743
_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
  Lu  Lu0  1  0.115  0.625  0.990  1.0
  Lu  Lu1  1  0.365  0.375  0.490  1.0
  Ag  Ag2  1  0.625  0.122  0.003  1.0
  Ag  Ag3  1  0.881  0.878  0.503  1.0
  S  S4  1  0.889  0.398  0.991  1.0
  S  S5  1  0.349  0.853  0.996  1.0
  S  S6  1  0.593  0.602  0.491  1.0
  S  S7  1  0.144  0.147  0.496  1.0
[/CIF]
.
The crystal structure described by LuAgS2 crystallizes in the orthorhombic Ima2 space group. Lu(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of corner and edge-sharing LuS6 octahedra. The corner-sharing octahedral tilt angles range from 11-12°. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Lu(1) and two equivalent Ag(1) atoms to form a mixture of distorted corner and edge-sharing SLu3Ag2 square pyramids. In the second S site, S(2) is bonded in a 5-coordinate geometry to three equivalent Lu(1) and two equivalent Ag(1) atoms. is represented by the CIF card [CIF]
data_LuAgS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.032
_cell_length_b   7.032
_cell_length_c   7.032
_cell_angle_alpha   135.107
_cell_angle_beta   135.090
_cell_angle_gamma   65.377
_symmetry_Int_Tables_number   1
_cell_volume   170.743
_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
  Lu  Lu0  1  0.115  0.625  0.990  1.0
  Lu  Lu1  1  0.365  0.375  0.490  1.0
  Ag  Ag2  1  0.625  0.122  0.003  1.0
  Ag  Ag3  1  0.881  0.878  0.503  1.0
  S  S4  1  0.889  0.398  0.991  1.0
  S  S5  1  0.349  0.853  0.996  1.0
  S  S6  1  0.593  0.602  0.491  1.0
  S  S7  1  0.144  0.147  0.496  1.0
[/CIF]
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