The crystal structure described by Rb2Gd4Cu4S9 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 8-coordinate geometry to one S(1), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(4), two equivalent S(3), and three equivalent S(1) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with four equivalent Gd(1)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with three equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second Gd site, Gd(2) is bonded to one S(4), two equivalent S(5), and three equivalent S(2) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(1)S6 octahedra, corners with two equivalent Gd(2)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Gd(2)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-31°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Cu(1)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 1°. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with three equivalent Gd(1)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-59°. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Rb(1), three equivalent Gd(1), and two equivalent Cu(2) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(2)Rb2Gd3Cu octahedra,  a cornercorner with one S(4)Rb2Gd2Cu2 pentagonal pyramid, edges with four equivalent S(1)RbGd3Cu2 octahedra, and edges with two equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Gd(2), and one Cu(1) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(1)RbGd3Cu2 octahedra, corners with three equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids, edges with four equivalent S(2)Rb2Gd3Cu octahedra, and edges with three equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Gd(1), one Cu(1), and two equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Rb(1), one Gd(1), one Gd(2), and two equivalent Cu(1) atoms to form distorted SRb2Gd2Cu2 pentagonal pyramids that share  a cornercorner with one S(1)RbGd3Cu2 octahedra, corners with three equivalent S(2)Rb2Gd3Cu octahedra, edges with two equivalent S(1)RbGd3Cu2 octahedra, edges with three equivalent S(2)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 6-39°. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and four equivalent Gd(2) atoms. is represented by the CIF file [CIF]
data_Rb2Gd4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   7.323
_cell_length_c   15.449
_cell_angle_alpha   82.130
_cell_angle_beta   82.409
_cell_angle_gamma   73.817
_symmetry_Int_Tables_number   1
_cell_volume   437.110
_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  0.973  0.285  0.770  1.0
  Rb  Rb1  1  0.027  0.715  0.230  1.0
  Gd  Gd2  1  0.767  0.863  0.604  1.0
  Gd  Gd3  1  0.233  0.137  0.396  1.0
  Gd  Gd4  1  0.346  0.254  0.054  1.0
  Gd  Gd5  1  0.654  0.746  0.946  1.0
  Cu  Cu6  1  0.751  0.270  0.228  1.0
  Cu  Cu7  1  0.249  0.730  0.772  1.0
  Cu  Cu8  1  0.566  0.326  0.541  1.0
  Cu  Cu9  1  0.434  0.674  0.459  1.0
  S  S10  1  0.859  0.856  0.426  1.0
  S  S11  1  0.141  0.144  0.574  1.0
  S  S12  1  0.705  0.488  0.101  1.0
  S  S13  1  0.295  0.512  0.899  1.0
  S  S14  1  0.608  0.407  0.377  1.0
  S  S15  1  0.392  0.593  0.623  1.0
  S  S16  1  0.342  0.094  0.222  1.0
  S  S17  1  0.658  0.906  0.778  1.0
  S  S18  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Rb2Gd4Cu4S9 crystallizes in the monoclinic C2/m space group. Rb(1) is bonded in a 8-coordinate geometry to one S(1), one S(5), two equivalent S(2), two equivalent S(3), and two equivalent S(4) atoms. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to one S(4), two equivalent S(3), and three equivalent S(1) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with four equivalent Cu(2)S4 tetrahedra, edges with four equivalent Gd(1)S6 octahedra, edges with two equivalent Cu(1)S4 tetrahedra, and edges with three equivalent Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. In the second Gd site, Gd(2) is bonded to one S(4), two equivalent S(5), and three equivalent S(2) atoms to form GdS6 octahedra that share  a cornercorner with one Gd(1)S6 octahedra, corners with two equivalent Gd(2)S6 octahedra,  a cornercorner with one Cu(1)S4 tetrahedra, edges with five equivalent Gd(2)S6 octahedra, and edges with two equivalent Cu(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-31°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one S(2), one S(3), and two equivalent S(4) atoms to form CuS4 tetrahedra that share  a cornercorner with one Gd(2)S6 octahedra, corners with two equivalent Cu(1)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 1°. In the second Cu site, Cu(2) is bonded to two equivalent S(1) and two equivalent S(3) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Gd(1)S6 octahedra, corners with two equivalent Cu(1)S4 tetrahedra, corners with two equivalent Cu(2)S4 tetrahedra, edges with three equivalent Gd(1)S6 octahedra, and  an edgeedge with one Cu(2)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 12-59°. There are five inequivalent S sites. In the first S site, S(1) is bonded to one Rb(1), three equivalent Gd(1), and two equivalent Cu(2) atoms to form distorted SRbGd3Cu2 octahedra that share corners with two equivalent S(2)Rb2Gd3Cu octahedra,  a cornercorner with one S(4)Rb2Gd2Cu2 pentagonal pyramid, edges with four equivalent S(1)RbGd3Cu2 octahedra, and edges with two equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the second S site, S(2) is bonded to two equivalent Rb(1), three equivalent Gd(2), and one Cu(1) atom to form distorted SRb2Gd3Cu octahedra that share corners with two equivalent S(1)RbGd3Cu2 octahedra, corners with three equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids, edges with four equivalent S(2)Rb2Gd3Cu octahedra, and edges with three equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles are 41°. In the third S site, S(3) is bonded in a 7-coordinate geometry to two equivalent Rb(1), two equivalent Gd(1), one Cu(1), and two equivalent Cu(2) atoms. In the fourth S site, S(4) is bonded to two equivalent Rb(1), one Gd(1), one Gd(2), and two equivalent Cu(1) atoms to form distorted SRb2Gd2Cu2 pentagonal pyramids that share  a cornercorner with one S(1)RbGd3Cu2 octahedra, corners with three equivalent S(2)Rb2Gd3Cu octahedra, edges with two equivalent S(1)RbGd3Cu2 octahedra, edges with three equivalent S(2)Rb2Gd3Cu octahedra, and edges with two equivalent S(4)Rb2Gd2Cu2 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 6-39°. In the fifth S site, S(5) is bonded in a distorted square co-planar geometry to two equivalent Rb(1) and four equivalent Gd(2) atoms. is represented by the CIF file [CIF]
data_Rb2Gd4Cu4S9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.082
_cell_length_b   7.323
_cell_length_c   15.449
_cell_angle_alpha   82.130
_cell_angle_beta   82.409
_cell_angle_gamma   73.817
_symmetry_Int_Tables_number   1
_cell_volume   437.110
_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  0.973  0.285  0.770  1.0
  Rb  Rb1  1  0.027  0.715  0.230  1.0
  Gd  Gd2  1  0.767  0.863  0.604  1.0
  Gd  Gd3  1  0.233  0.137  0.396  1.0
  Gd  Gd4  1  0.346  0.254  0.054  1.0
  Gd  Gd5  1  0.654  0.746  0.946  1.0
  Cu  Cu6  1  0.751  0.270  0.228  1.0
  Cu  Cu7  1  0.249  0.730  0.772  1.0
  Cu  Cu8  1  0.566  0.326  0.541  1.0
  Cu  Cu9  1  0.434  0.674  0.459  1.0
  S  S10  1  0.859  0.856  0.426  1.0
  S  S11  1  0.141  0.144  0.574  1.0
  S  S12  1  0.705  0.488  0.101  1.0
  S  S13  1  0.295  0.512  0.899  1.0
  S  S14  1  0.608  0.407  0.377  1.0
  S  S15  1  0.392  0.593  0.623  1.0
  S  S16  1  0.342  0.094  0.222  1.0
  S  S17  1  0.658  0.906  0.778  1.0
  S  S18  1  0.000  0.000  0.000  1.0
[/CIF]
.