The structure described by RbSm2CuS4 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. Sm(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form SmS6 octahedra that share corners with three equivalent Sm(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Sm(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 Sm(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1) and four equivalent Sm(1) atoms to form distorted SRb2Sm4 octahedra that share corners with two equivalent S(1)Rb2Sm4 octahedra, corners with eight equivalent S(3)Rb2Sm3Cu octahedra, edges with two equivalent S(1)Rb2Sm4 octahedra, and edges with six equivalent S(3)Rb2Sm3Cu 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 Sm(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded to two equivalent Rb(1), three equivalent Sm(1), and one Cu(1) atom to form distorted SRb2Sm3Cu octahedra that share corners with two equivalent S(3)Rb2Sm3Cu octahedra, corners with four equivalent S(1)Rb2Sm4 octahedra, edges with three equivalent S(1)Rb2Sm4 octahedra, edges with four equivalent S(3)Rb2Sm3Cu octahedra, and  a faceface with one S(3)Rb2Sm3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-67°. is represented by the CIF file [CIF]
data_RbSm2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   13.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.745
_symmetry_Int_Tables_number   1
_cell_volume   396.809
_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
  Sm  Sm2  1  0.634  0.366  0.938  1.0
  Sm  Sm3  1  0.366  0.634  0.438  1.0
  Sm  Sm4  1  0.634  0.366  0.562  1.0
  Sm  Sm5  1  0.366  0.634  0.062  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  0.389  1.0
  S  S13  1  0.260  0.740  0.889  1.0
  S  S14  1  0.260  0.740  0.611  1.0
  S  S15  1  0.740  0.260  0.111  1.0
[/CIF]
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The structure described by RbSm2CuS4 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. Sm(1) is bonded to one S(2), two equivalent S(1), and three equivalent S(3) atoms to form SmS6 octahedra that share corners with three equivalent Sm(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Sm(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 Sm(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, and edges with four equivalent Sm(1)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Rb(1) and four equivalent Sm(1) atoms to form distorted SRb2Sm4 octahedra that share corners with two equivalent S(1)Rb2Sm4 octahedra, corners with eight equivalent S(3)Rb2Sm3Cu octahedra, edges with two equivalent S(1)Rb2Sm4 octahedra, and edges with six equivalent S(3)Rb2Sm3Cu 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 Sm(1), and two equivalent Cu(1) atoms. In the third S site, S(3) is bonded to two equivalent Rb(1), three equivalent Sm(1), and one Cu(1) atom to form distorted SRb2Sm3Cu octahedra that share corners with two equivalent S(3)Rb2Sm3Cu octahedra, corners with four equivalent S(1)Rb2Sm4 octahedra, edges with three equivalent S(1)Rb2Sm4 octahedra, edges with four equivalent S(3)Rb2Sm3Cu octahedra, and  a faceface with one S(3)Rb2Sm3Cu octahedra. The corner-sharing octahedral tilt angles range from 3-67°. is represented by the CIF file [CIF]
data_RbSm2CuS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.295
_cell_length_b   7.295
_cell_length_c   13.970
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   147.745
_symmetry_Int_Tables_number   1
_cell_volume   396.809
_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
  Sm  Sm2  1  0.634  0.366  0.938  1.0
  Sm  Sm3  1  0.366  0.634  0.438  1.0
  Sm  Sm4  1  0.634  0.366  0.562  1.0
  Sm  Sm5  1  0.366  0.634  0.062  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  0.389  1.0
  S  S13  1  0.260  0.740  0.889  1.0
  S  S14  1  0.260  0.740  0.611  1.0
  S  S15  1  0.740  0.260  0.111  1.0
[/CIF]
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