The material described by Rb2TaCuS4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Ta(1) is bonded to four equivalent S(1) atoms to form TaS4 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 Ta(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Ta(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Rb2TaCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.994
_cell_length_b   12.483
_cell_length_c   7.468
_cell_angle_alpha   85.154
_cell_angle_beta   62.723
_cell_angle_gamma   32.123
_symmetry_Int_Tables_number   1
_cell_volume   472.468
_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  0.822  0.822  0.178  1.0
  Rb  Rb1  1  0.178  0.178  0.822  1.0
  Rb  Rb2  1  0.428  0.428  0.072  1.0
  Rb  Rb3  1  0.072  0.072  0.428  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  Ta  Ta5  1  0.250  0.250  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.750  0.750  0.750  1.0
  S  S8  1  0.534  0.859  0.157  1.0
  S  S9  1  0.450  0.157  0.859  1.0
  S  S10  1  0.800  0.093  0.391  1.0
  S  S11  1  0.716  0.391  0.093  1.0
  S  S12  1  0.391  0.716  0.800  1.0
  S  S13  1  0.093  0.800  0.716  1.0
  S  S14  1  0.157  0.450  0.534  1.0
  S  S15  1  0.859  0.534  0.450  1.0
[/CIF]
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The material described by Rb2TaCuS4 crystallizes in the orthorhombic Fddd space group. Rb(1) is bonded in a 8-coordinate geometry to eight equivalent S(1) atoms. Ta(1) is bonded to four equivalent S(1) atoms to form TaS4 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 Ta(1)S4 tetrahedra. S(1) is bonded in a 6-coordinate geometry to four equivalent Rb(1), one Ta(1), and one Cu(1) atom. is represented by the CIF file [CIF]
data_Rb2TaCuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.994
_cell_length_b   12.483
_cell_length_c   7.468
_cell_angle_alpha   85.154
_cell_angle_beta   62.723
_cell_angle_gamma   32.123
_symmetry_Int_Tables_number   1
_cell_volume   472.468
_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  0.822  0.822  0.178  1.0
  Rb  Rb1  1  0.178  0.178  0.822  1.0
  Rb  Rb2  1  0.428  0.428  0.072  1.0
  Rb  Rb3  1  0.072  0.072  0.428  1.0
  Ta  Ta4  1  0.000  0.000  0.000  1.0
  Ta  Ta5  1  0.250  0.250  0.250  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.750  0.750  0.750  1.0
  S  S8  1  0.534  0.859  0.157  1.0
  S  S9  1  0.450  0.157  0.859  1.0
  S  S10  1  0.800  0.093  0.391  1.0
  S  S11  1  0.716  0.391  0.093  1.0
  S  S12  1  0.391  0.716  0.800  1.0
  S  S13  1  0.093  0.800  0.716  1.0
  S  S14  1  0.157  0.450  0.534  1.0
  S  S15  1  0.859  0.534  0.450  1.0
[/CIF]
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