The material structure described by Rb2NbCuS4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Nb(1) is bonded to four equivalent S(1) atoms to form NbS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share edges with two equivalent Nb(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Nb(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Rb2NbCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.990
_cell_length_b   12.477
_cell_length_c   7.467
_cell_angle_alpha   85.161
_cell_angle_beta   62.710
_cell_angle_gamma   32.129
_symmetry_Int_Tables_number   1
_cell_volume   471.784
_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  0.323  0.323  0.677  1.0
  Rb  Rb1  1  0.677  0.677  0.323  1.0
  Rb  Rb2  1  0.927  0.927  0.573  1.0
  Rb  Rb3  1  0.573  0.573  0.927  1.0
  Nb  Nb4  1  0.750  0.750  0.750  1.0
  Nb  Nb5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.250  0.250  0.250  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  S  S8  1  0.893  0.214  0.298  1.0
  S  S9  1  0.595  0.298  0.214  1.0
  S  S10  1  0.298  0.595  0.893  1.0
  S  S11  1  0.214  0.893  0.595  1.0
  S  S12  1  0.036  0.357  0.655  1.0
  S  S13  1  0.655  0.952  0.036  1.0
  S  S14  1  0.952  0.655  0.357  1.0
  S  S15  1  0.357  0.036  0.952  1.0
[/CIF]
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The material structure described by Rb2NbCuS4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Nb(1) is bonded to four equivalent S(1) atoms to form NbS4 tetrahedra that share edges with two equivalent Cu(1)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share edges with two equivalent Nb(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Nb(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Rb2NbCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.990
_cell_length_b   12.477
_cell_length_c   7.467
_cell_angle_alpha   85.161
_cell_angle_beta   62.710
_cell_angle_gamma   32.129
_symmetry_Int_Tables_number   1
_cell_volume   471.784
_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  0.323  0.323  0.677  1.0
  Rb  Rb1  1  0.677  0.677  0.323  1.0
  Rb  Rb2  1  0.927  0.927  0.573  1.0
  Rb  Rb3  1  0.573  0.573  0.927  1.0
  Nb  Nb4  1  0.750  0.750  0.750  1.0
  Nb  Nb5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.250  0.250  0.250  1.0
  Cu  Cu7  1  0.000  0.000  0.000  1.0
  S  S8  1  0.893  0.214  0.298  1.0
  S  S9  1  0.595  0.298  0.214  1.0
  S  S10  1  0.298  0.595  0.893  1.0
  S  S11  1  0.214  0.893  0.595  1.0
  S  S12  1  0.036  0.357  0.655  1.0
  S  S13  1  0.655  0.952  0.036  1.0
  S  S14  1  0.952  0.655  0.357  1.0
  S  S15  1  0.357  0.036  0.952  1.0
[/CIF]
.