The material structure described by RbNd2CuS4 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Nd(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form NdS6 octahedra that share corners with three equivalent Nd(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Nd(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1) and four equivalent Nd(1) atoms to form distorted SRb2Nd4 octahedra that share corners with two equivalent S(1)Rb2Nd4 octahedra, corners with eight equivalent S(3)Rb2Nd3Cu octahedra, edges with two equivalent S(1)Rb2Nd4 octahedra, and edges with six equivalent S(3)Rb2Nd3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded to two equivalent Rb(1), three equivalent Nd(1), and one Cu(1) atom to form distorted SRb2Nd3Cu octahedra that share corners with two equivalent S(3)Rb2Nd3Cu octahedra, corners with four equivalent S(1)Rb2Nd4 octahedra, edges with three equivalent S(1)Rb2Nd4 octahedra, edges with four equivalent S(3)Rb2Nd3Cu octahedra, and  a faceface with one S(3)Rb2Nd3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-68°. is represented by the CIF card [CIF]
data_RbNd2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   14.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.706
_symmetry_Int_Tables_number   1
_cell_volume   404.792
_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  0.106  0.894  0.250  1.0
  Rb  Rb1  1  0.894  0.106  0.750  1.0
  Nd  Nd2  1  0.635  0.365  0.939  1.0
  Nd  Nd3  1  0.365  0.635  0.439  1.0
  Nd  Nd4  1  0.635  0.365  0.561  1.0
  Nd  Nd5  1  0.365  0.635  0.061  1.0
  Cu  Cu6  1  0.165  0.835  0.750  1.0
  Cu  Cu7  1  0.835  0.165  0.250  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.424  0.576  0.250  1.0
  S  S11  1  0.576  0.424  0.750  1.0
  S  S12  1  0.740  0.260  0.386  1.0
  S  S13  1  0.260  0.740  0.886  1.0
  S  S14  1  0.260  0.740  0.614  1.0
  S  S15  1  0.740  0.260  0.114  1.0
[/CIF]
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The material structure described by RbNd2CuS4 crystallizes in the orthorhombic Cmcm space group. Rb(1) is bonded in a 8-coordinate geometry to two equivalent S(1), two equivalent S(2), and four equivalent S(3) atoms. Nd(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form NdS6 octahedra that share corners with three equivalent Nd(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Nd(1)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-35°. Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form CuS4 tetrahedra that share corners with two equivalent Nd(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Nd(1)S6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1) and four equivalent Nd(1) atoms to form distorted SRb2Nd4 octahedra that share corners with two equivalent S(1)Rb2Nd4 octahedra, corners with eight equivalent S(3)Rb2Nd3Cu octahedra, edges with two equivalent S(1)Rb2Nd4 octahedra, and edges with six equivalent S(3)Rb2Nd3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-46°. In the second S site, S(2) is bonded in a 6-coordinate geometry to two equivalent Rb(1), two equivalent Nd(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded to two equivalent Rb(1), three equivalent Nd(1), and one Cu(1) atom to form distorted SRb2Nd3Cu octahedra that share corners with two equivalent S(3)Rb2Nd3Cu octahedra, corners with four equivalent S(1)Rb2Nd4 octahedra, edges with three equivalent S(1)Rb2Nd4 octahedra, edges with four equivalent S(3)Rb2Nd3Cu octahedra, and  a faceface with one S(3)Rb2Nd3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-68°. is represented by the CIF card [CIF]
data_RbNd2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.348
_cell_length_b   7.348
_cell_length_c   14.034
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.706
_symmetry_Int_Tables_number   1
_cell_volume   404.792
_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  0.106  0.894  0.250  1.0
  Rb  Rb1  1  0.894  0.106  0.750  1.0
  Nd  Nd2  1  0.635  0.365  0.939  1.0
  Nd  Nd3  1  0.365  0.635  0.439  1.0
  Nd  Nd4  1  0.635  0.365  0.561  1.0
  Nd  Nd5  1  0.365  0.635  0.061  1.0
  Cu  Cu6  1  0.165  0.835  0.750  1.0
  Cu  Cu7  1  0.835  0.165  0.250  1.0
  S  S8  1  0.000  0.000  0.500  1.0
  S  S9  1  0.000  0.000  0.000  1.0
  S  S10  1  0.424  0.576  0.250  1.0
  S  S11  1  0.576  0.424  0.750  1.0
  S  S12  1  0.740  0.260  0.386  1.0
  S  S13  1  0.260  0.740  0.886  1.0
  S  S14  1  0.260  0.740  0.614  1.0
  S  S15  1  0.740  0.260  0.114  1.0
[/CIF]
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