The compound described by RbFeS2 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to eight equivalent S(1) atoms to form distorted RbS8 hexagonal bipyramids that share corners with four equivalent Rb(1)S8 hexagonal bipyramids, corners with six equivalent Fe(1)S4 tetrahedra, edges with six equivalent Rb(1)S8 hexagonal bipyramids, edges with five equivalent Fe(1)S4 tetrahedra, and faces with two equivalent Rb(1)S8 hexagonal bipyramids. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with six equivalent Rb(1)S8 hexagonal bipyramids, edges with five equivalent Rb(1)S8 hexagonal bipyramids, and edges with two equivalent Fe(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_RbFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   6.796
_cell_length_c   6.796
_cell_angle_alpha   114.608
_cell_angle_beta   101.306
_cell_angle_gamma   101.306
_symmetry_Int_Tables_number   1
_cell_volume   210.719
_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
  Rb  Rb0  1  0.750  0.644  0.356  1.0
  Rb  Rb1  1  0.250  0.356  0.644  1.0
  Fe  Fe2  1  0.250  0.996  0.004  1.0
  Fe  Fe3  1  0.750  0.004  0.996  1.0
  S  S4  1  0.400  0.912  0.708  1.0
  S  S5  1  0.100  0.292  0.088  1.0
  S  S6  1  0.900  0.708  0.912  1.0
  S  S7  1  0.600  0.088  0.292  1.0
[/CIF]
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The compound described by RbFeS2 crystallizes in the monoclinic C2/c space group. Rb(1) is bonded to eight equivalent S(1) atoms to form distorted RbS8 hexagonal bipyramids that share corners with four equivalent Rb(1)S8 hexagonal bipyramids, corners with six equivalent Fe(1)S4 tetrahedra, edges with six equivalent Rb(1)S8 hexagonal bipyramids, edges with five equivalent Fe(1)S4 tetrahedra, and faces with two equivalent Rb(1)S8 hexagonal bipyramids. Fe(1) is bonded to four equivalent S(1) atoms to form FeS4 tetrahedra that share corners with six equivalent Rb(1)S8 hexagonal bipyramids, edges with five equivalent Rb(1)S8 hexagonal bipyramids, and edges with two equivalent Fe(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1) and two equivalent Fe(1) atoms. is represented by the CIF card [CIF]
data_RbFeS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.386
_cell_length_b   6.796
_cell_length_c   6.796
_cell_angle_alpha   114.608
_cell_angle_beta   101.306
_cell_angle_gamma   101.306
_symmetry_Int_Tables_number   1
_cell_volume   210.719
_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
  Rb  Rb0  1  0.750  0.644  0.356  1.0
  Rb  Rb1  1  0.250  0.356  0.644  1.0
  Fe  Fe2  1  0.250  0.996  0.004  1.0
  Fe  Fe3  1  0.750  0.004  0.996  1.0
  S  S4  1  0.400  0.912  0.708  1.0
  S  S5  1  0.100  0.292  0.088  1.0
  S  S6  1  0.900  0.708  0.912  1.0
  S  S7  1  0.600  0.088  0.292  1.0
[/CIF]
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