The structure described by Rb3(Cu4Se3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. In the second Rb site, Rb(2) is bonded in a body-centered cubic geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(3) atoms. In the second Cu site, Cu(2) is bonded to one Se(3) and three equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one Se(3) and two equivalent Se(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(4), and three equivalent Cu(2) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(1), one Cu(4), and two equivalent Cu(3) atoms. In the third Se site, Se(3) is bonded in a 9-coordinate geometry to three equivalent Rb(1), one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3(Cu4Se3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.447
_cell_length_b   9.447
_cell_length_c   10.228
_cell_angle_alpha   73.566
_cell_angle_beta   73.566
_cell_angle_gamma   24.366
_symmetry_Int_Tables_number   1
_cell_volume   360.440
_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  0.310  0.310  0.304  1.0
  Rb  Rb1  1  0.690  0.690  0.696  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.077  0.077  0.469  1.0
  Cu  Cu4  1  0.302  0.302  0.913  1.0
  Cu  Cu5  1  0.481  0.481  0.636  1.0
  Cu  Cu6  1  0.106  0.106  0.218  1.0
  Cu  Cu7  1  0.519  0.519  0.364  1.0
  Cu  Cu8  1  0.923  0.923  0.531  1.0
  Cu  Cu9  1  0.698  0.698  0.087  1.0
  Cu  Cu10  1  0.894  0.894  0.782  1.0
  Se  Se11  1  0.161  0.161  0.979  1.0
  Se  Se12  1  0.839  0.839  0.021  1.0
  Se  Se13  1  0.965  0.965  0.291  1.0
  Se  Se14  1  0.346  0.346  0.650  1.0
  Se  Se15  1  0.654  0.654  0.350  1.0
  Se  Se16  1  0.035  0.035  0.709  1.0
[/CIF]
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The structure described by Rb3(Cu4Se3)2 crystallizes in the monoclinic C2/m space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to two equivalent Se(1), two equivalent Se(2), and three equivalent Se(3) atoms. In the second Rb site, Rb(2) is bonded in a body-centered cubic geometry to four equivalent Se(1) and four equivalent Se(2) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one Se(2) and two equivalent Se(3) atoms. In the second Cu site, Cu(2) is bonded to one Se(3) and three equivalent Se(1) atoms to form a mixture of distorted edge and corner-sharing CuSe4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one Se(3) and two equivalent Se(2) atoms. In the fourth Cu site, Cu(4) is bonded in a 4-coordinate geometry to one Se(1), one Se(2), and two equivalent Se(3) atoms. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(4), and three equivalent Cu(2) atoms. In the second Se site, Se(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), one Cu(1), one Cu(4), and two equivalent Cu(3) atoms. In the third Se site, Se(3) is bonded in a 9-coordinate geometry to three equivalent Rb(1), one Cu(2), one Cu(3), two equivalent Cu(1), and two equivalent Cu(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Rb3(Cu4Se3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.447
_cell_length_b   9.447
_cell_length_c   10.228
_cell_angle_alpha   73.566
_cell_angle_beta   73.566
_cell_angle_gamma   24.366
_symmetry_Int_Tables_number   1
_cell_volume   360.440
_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  0.310  0.310  0.304  1.0
  Rb  Rb1  1  0.690  0.690  0.696  1.0
  Rb  Rb2  1  0.500  0.500  0.000  1.0
  Cu  Cu3  1  0.077  0.077  0.469  1.0
  Cu  Cu4  1  0.302  0.302  0.913  1.0
  Cu  Cu5  1  0.481  0.481  0.636  1.0
  Cu  Cu6  1  0.106  0.106  0.218  1.0
  Cu  Cu7  1  0.519  0.519  0.364  1.0
  Cu  Cu8  1  0.923  0.923  0.531  1.0
  Cu  Cu9  1  0.698  0.698  0.087  1.0
  Cu  Cu10  1  0.894  0.894  0.782  1.0
  Se  Se11  1  0.161  0.161  0.979  1.0
  Se  Se12  1  0.839  0.839  0.021  1.0
  Se  Se13  1  0.965  0.965  0.291  1.0
  Se  Se14  1  0.346  0.346  0.650  1.0
  Se  Se15  1  0.654  0.654  0.350  1.0
  Se  Se16  1  0.035  0.035  0.709  1.0
[/CIF]
.