The material described by RbCoCuS2 crystallizes in the tetragonal I-4m2 space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with four equivalent Co(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent Rb(1), two equivalent Co(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.080
_cell_length_b   7.080
_cell_length_c   7.080
_cell_angle_alpha   147.963
_cell_angle_beta   147.963
_cell_angle_gamma   45.940
_symmetry_Int_Tables_number   1
_cell_volume   99.518
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.660  0.660  0.000  1.0
  S  S4  1  0.340  0.340  0.000  1.0
[/CIF]
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The material described by RbCoCuS2 crystallizes in the tetragonal I-4m2 space group. Rb(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Co(1) is bonded to four equivalent S(1) atoms to form CoS4 tetrahedra that share corners with four equivalent Co(1)S4 tetrahedra and edges with four equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra and edges with four equivalent Co(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent Rb(1), two equivalent Co(1), and two equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_RbCoCuS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.080
_cell_length_b   7.080
_cell_length_c   7.080
_cell_angle_alpha   147.963
_cell_angle_beta   147.963
_cell_angle_gamma   45.940
_symmetry_Int_Tables_number   1
_cell_volume   99.518
_cell_formula_units_Z   1
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  0.000  0.000  0.000  1.0
  Co  Co1  1  0.750  0.250  0.500  1.0
  Cu  Cu2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.660  0.660  0.000  1.0
  S  S4  1  0.340  0.340  0.000  1.0
[/CIF]
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