The material structure described by Rb2Gd4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one S(7), one S(9), two equivalent S(2), two equivalent S(4), and two equivalent S(6) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(4), one S(5), two equivalent S(3), and two equivalent S(7) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Gd(4)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, edges with three equivalent Gd(4)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second Gd site, Gd(2) is bonded to one S(5), one S(9), two equivalent S(1), and two equivalent S(8) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(1)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the third Gd site, Gd(3) is bonded to one S(6), one S(8), two equivalent S(2), and two equivalent S(9) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(4)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. In the fourth Gd site, Gd(4) is bonded to one S(3), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(3)S6 octahedra, corners with two equivalent Gd(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Gd(4)S6 octahedra, edges with three equivalent Gd(1)S6 octahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-30°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), and two equivalent S(8) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(2)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra,  an edgeedge with one Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-60°. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(5) atoms to form CuS4 tetrahedra that share  a cornercorner with one Gd(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with two equivalent Gd(2)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Cu site, Cu(3) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one Gd(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, edges with two equivalent Gd(3)S6 octahedra, and edges with two equivalent Gd(4)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(2), and two equivalent S(9) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(3)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Gd(3)S6 octahedra, edges with two equivalent Gd(2)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-59°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), two equivalent Gd(2), one Cu(1), one Cu(2), and one Cu(4) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Gd(3), one Cu(1), one Cu(3), and one Cu(4) atom. In the third S site, S(3) is bonded to two equivalent Rb(2), one Gd(4), two equivalent Gd(1), and one Cu(2) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(8)RbGd3Cu2 octahedra, edges with two equivalent S(3)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth S site, S(4) is bonded to two equivalent Rb(1), one Gd(1), two equivalent Gd(4), and one Cu(3) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(9)RbGd3Cu2 octahedra, edges with two equivalent S(3)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(2), one Gd(1), one Gd(2), and two equivalent Cu(2) atoms. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Rb(1), one Gd(3), one Gd(4), and two equivalent Cu(3) atoms. In the seventh S site, S(7) is bonded in a distorted square co-planar geometry to one Rb(1), two equivalent Gd(1), and two equivalent Gd(4) atoms. In the eighth S site, S(8) is bonded to one Rb(2), one Gd(3), two equivalent Gd(2), and two equivalent Cu(1) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(3)Rb2Gd3Cu octahedra, edges with two equivalent S(8)RbGd3Cu2 octahedra, and edges with two equivalent S(9)RbGd3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the ninth S site, S(9) is bonded to one Rb(1), one Gd(2), two equivalent Gd(3), and two equivalent Cu(4) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(4)Rb2Gd3Cu octahedra, edges with two equivalent S(8)RbGd3Cu2 octahedra, and edges with two equivalent S(9)RbGd3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. is represented by the CIF file [CIF]
data_Rb2Gd4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   7.271
_cell_length_c   15.513
_cell_angle_alpha   81.949
_cell_angle_beta   82.569
_cell_angle_gamma   74.112
_symmetry_Int_Tables_number   1
_cell_volume   427.813
_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  0.979  0.286  0.769  1.0
  Rb  Rb1  1  0.023  0.713  0.231  1.0
  Gd  Gd2  1  0.345  0.255  0.053  1.0
  Gd  Gd3  1  0.230  0.140  0.396  1.0
  Gd  Gd4  1  0.765  0.860  0.603  1.0
  Gd  Gd5  1  0.653  0.746  0.946  1.0
  Cu  Cu6  1  0.427  0.674  0.459  1.0
  Cu  Cu7  1  0.751  0.266  0.227  1.0
  Cu  Cu8  1  0.251  0.732  0.772  1.0
  Cu  Cu9  1  0.565  0.321  0.543  1.0
  S  S10  1  0.607  0.409  0.375  1.0
  S  S11  1  0.388  0.592  0.623  1.0
  S  S12  1  0.701  0.493  0.101  1.0
  S  S13  1  0.297  0.508  0.898  1.0
  S  S14  1  0.340  0.095  0.223  1.0
  S  S15  1  0.664  0.903  0.777  1.0
  S  S16  1  1.000  0.001  0.999  1.0
  S  S17  1  0.858  0.850  0.426  1.0
  S  S18  1  0.135  0.151  0.574  1.0
[/CIF]
.
The material structure described by Rb2Gd4Cu4S9 crystallizes in the triclinic P1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one S(7), one S(9), two equivalent S(2), two equivalent S(4), and two equivalent S(6) atoms. In the second Rb site, Rb(2) is bonded in a 7-coordinate geometry to one S(8), two equivalent S(1), two equivalent S(3), and two equivalent S(5) atoms. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(4), one S(5), two equivalent S(3), and two equivalent S(7) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Gd(4)S6 octahedra,  a cornercorner with one Cu(3)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, edges with three equivalent Gd(4)S6 octahedra, and edges with two equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-31°. In the second Gd site, Gd(2) is bonded to one S(5), one S(9), two equivalent S(1), and two equivalent S(8) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(1)S6 octahedra, corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra,  an edgeedge with one Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the third Gd site, Gd(3) is bonded to one S(6), one S(8), two equivalent S(2), and two equivalent S(9) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(4)S6 octahedra, corners with four equivalent Cu(4)S4 tetrahedra, edges with two equivalent Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra,  an edgeedge with one Cu(4)S4 tetrahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. In the fourth Gd site, Gd(4) is bonded to one S(3), one S(6), two equivalent S(4), and two equivalent S(7) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(3)S6 octahedra, corners with two equivalent Gd(1)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra, edges with two equivalent Gd(4)S6 octahedra, edges with three equivalent Gd(1)S6 octahedra, and edges with two equivalent Cu(3)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 1-30°. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(1), one S(2), and two equivalent S(8) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(2)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(1)S4 tetrahedra,  an edgeedge with one Gd(2)S6 octahedra, edges with two equivalent Gd(3)S6 octahedra, and  an edgeedge with one Cu(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 14-60°. In the second Cu site, Cu(2) is bonded to one S(1), one S(3), and two equivalent S(5) atoms to form CuS4 tetrahedra that share  a cornercorner with one Gd(4)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with two equivalent Gd(1)S6 octahedra, and edges with two equivalent Gd(2)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third Cu site, Cu(3) is bonded to one S(2), one S(4), and two equivalent S(6) atoms to form distorted CuS4 tetrahedra that share  a cornercorner with one Gd(1)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra,  a cornercorner with one Cu(4)S4 tetrahedra, corners with two equivalent Cu(3)S4 tetrahedra, edges with two equivalent Gd(3)S6 octahedra, and edges with two equivalent Gd(4)S6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the fourth Cu site, Cu(4) is bonded to one S(1), one S(2), and two equivalent S(9) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(3)S6 octahedra,  a cornercorner with one Cu(2)S4 tetrahedra,  a cornercorner with one Cu(3)S4 tetrahedra, corners with two equivalent Cu(4)S4 tetrahedra,  an edgeedge with one Gd(3)S6 octahedra, edges with two equivalent Gd(2)S6 octahedra, and  an edgeedge with one Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 15-59°. There are nine inequivalent S sites. In the first S site, S(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), two equivalent Gd(2), one Cu(1), one Cu(2), and one Cu(4) atom. In the second S site, S(2) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Gd(3), one Cu(1), one Cu(3), and one Cu(4) atom. In the third S site, S(3) is bonded to two equivalent Rb(2), one Gd(4), two equivalent Gd(1), and one Cu(2) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(8)RbGd3Cu2 octahedra, edges with two equivalent S(3)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the fourth S site, S(4) is bonded to two equivalent Rb(1), one Gd(1), two equivalent Gd(4), and one Cu(3) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(9)RbGd3Cu2 octahedra, edges with two equivalent S(3)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd3Cu octahedra. The corner-sharing octahedral tilt angles range from 40-42°. In the fifth S site, S(5) is bonded in a 6-coordinate geometry to two equivalent Rb(2), one Gd(1), one Gd(2), and two equivalent Cu(2) atoms. In the sixth S site, S(6) is bonded in a 6-coordinate geometry to two equivalent Rb(1), one Gd(3), one Gd(4), and two equivalent Cu(3) atoms. In the seventh S site, S(7) is bonded in a distorted square co-planar geometry to one Rb(1), two equivalent Gd(1), and two equivalent Gd(4) atoms. In the eighth S site, S(8) is bonded to one Rb(2), one Gd(3), two equivalent Gd(2), and two equivalent Cu(1) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(3)Rb2Gd3Cu octahedra, edges with two equivalent S(8)RbGd3Cu2 octahedra, and edges with two equivalent S(9)RbGd3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-41°. In the ninth S site, S(9) is bonded to one Rb(1), one Gd(2), two equivalent Gd(3), and two equivalent Cu(4) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(4)Rb2Gd3Cu octahedra, edges with two equivalent S(8)RbGd3Cu2 octahedra, and edges with two equivalent S(9)RbGd3Cu2 octahedra. The corner-sharing octahedral tilt angles range from 40-42°. is represented by the CIF file [CIF]
data_Rb2Gd4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.001
_cell_length_b   7.271
_cell_length_c   15.513
_cell_angle_alpha   81.949
_cell_angle_beta   82.569
_cell_angle_gamma   74.112
_symmetry_Int_Tables_number   1
_cell_volume   427.813
_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  0.979  0.286  0.769  1.0
  Rb  Rb1  1  0.023  0.713  0.231  1.0
  Gd  Gd2  1  0.345  0.255  0.053  1.0
  Gd  Gd3  1  0.230  0.140  0.396  1.0
  Gd  Gd4  1  0.765  0.860  0.603  1.0
  Gd  Gd5  1  0.653  0.746  0.946  1.0
  Cu  Cu6  1  0.427  0.674  0.459  1.0
  Cu  Cu7  1  0.751  0.266  0.227  1.0
  Cu  Cu8  1  0.251  0.732  0.772  1.0
  Cu  Cu9  1  0.565  0.321  0.543  1.0
  S  S10  1  0.607  0.409  0.375  1.0
  S  S11  1  0.388  0.592  0.623  1.0
  S  S12  1  0.701  0.493  0.101  1.0
  S  S13  1  0.297  0.508  0.898  1.0
  S  S14  1  0.340  0.095  0.223  1.0
  S  S15  1  0.664  0.903  0.777  1.0
  S  S16  1  1.000  0.001  0.999  1.0
  S  S17  1  0.858  0.850  0.426  1.0
  S  S18  1  0.135  0.151  0.574  1.0
[/CIF]
.