The crystal structure described by Rb2Co3S4 crystallizes in the orthorhombic Ibam space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. S(1) is bonded in a 7-coordinate geometry to four equivalent Rb(1), one Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Co3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.839
_cell_length_c   8.839
_cell_angle_alpha   144.570
_cell_angle_beta   104.753
_cell_angle_gamma   86.016
_symmetry_Int_Tables_number   1
_cell_volume   375.221
_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  0.624  0.259  0.882  1.0
  Rb  Rb1  1  0.376  0.741  0.118  1.0
  Rb  Rb2  1  0.124  0.241  0.365  1.0
  Rb  Rb3  1  0.876  0.759  0.635  1.0
  Co  Co4  1  0.750  0.250  0.500  1.0
  Co  Co5  1  0.250  0.750  0.500  1.0
  Co  Co6  1  0.003  0.750  0.253  1.0
  Co  Co7  1  0.497  0.750  0.747  1.0
  Co  Co8  1  0.997  0.250  0.747  1.0
  Co  Co9  1  0.503  0.250  0.253  1.0
  S  S10  1  0.039  0.415  0.125  1.0
  S  S11  1  0.290  0.915  0.875  1.0
  S  S12  1  0.210  0.085  0.625  1.0
  S  S13  1  0.461  0.585  0.375  1.0
  S  S14  1  0.961  0.585  0.875  1.0
  S  S15  1  0.710  0.085  0.125  1.0
  S  S16  1  0.790  0.915  0.375  1.0
  S  S17  1  0.539  0.415  0.625  1.0
[/CIF]
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The crystal structure described by Rb2Co3S4 crystallizes in the orthorhombic Ibam space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. In the second Co site, Co(2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CoS4 tetrahedra. S(1) is bonded in a 7-coordinate geometry to four equivalent Rb(1), one Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb2Co3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.839
_cell_length_b   8.839
_cell_length_c   8.839
_cell_angle_alpha   144.570
_cell_angle_beta   104.753
_cell_angle_gamma   86.016
_symmetry_Int_Tables_number   1
_cell_volume   375.221
_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  0.624  0.259  0.882  1.0
  Rb  Rb1  1  0.376  0.741  0.118  1.0
  Rb  Rb2  1  0.124  0.241  0.365  1.0
  Rb  Rb3  1  0.876  0.759  0.635  1.0
  Co  Co4  1  0.750  0.250  0.500  1.0
  Co  Co5  1  0.250  0.750  0.500  1.0
  Co  Co6  1  0.003  0.750  0.253  1.0
  Co  Co7  1  0.497  0.750  0.747  1.0
  Co  Co8  1  0.997  0.250  0.747  1.0
  Co  Co9  1  0.503  0.250  0.253  1.0
  S  S10  1  0.039  0.415  0.125  1.0
  S  S11  1  0.290  0.915  0.875  1.0
  S  S12  1  0.210  0.085  0.625  1.0
  S  S13  1  0.461  0.585  0.375  1.0
  S  S14  1  0.961  0.585  0.875  1.0
  S  S15  1  0.710  0.085  0.125  1.0
  S  S16  1  0.790  0.915  0.375  1.0
  S  S17  1  0.539  0.415  0.625  1.0
[/CIF]
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