The material structure described by RbCuSe4 crystallizes in the orthorhombic P2_12_12_1 space group. Rb(1) is bonded in a 14-coordinate geometry to three equivalent Cu(1), two equivalent Se(4), three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. Cu(1) is bonded to three equivalent Rb(1), one Se(1), one Se(3), and two equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing CuRb3Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1), one Cu(1), and one Se(4) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to three equivalent Rb(1) and two equivalent Cu(1) atoms. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to three equivalent Rb(1), one Cu(1), and one Se(4) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Se(1), and one Se(3) atom. is represented by the CIF file [CIF]
data_RbCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   8.921
_cell_length_c   13.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.679
_cell_formula_units_Z   4
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  0.681  0.060  0.335  1.0
  Rb  Rb1  1  0.181  0.440  0.665  1.0
  Rb  Rb2  1  0.319  0.560  0.165  1.0
  Rb  Rb3  1  0.819  0.940  0.835  1.0
  Cu  Cu4  1  0.967  0.861  0.566  1.0
  Cu  Cu5  1  0.533  0.139  0.066  1.0
  Cu  Cu6  1  0.033  0.361  0.934  1.0
  Cu  Cu7  1  0.467  0.639  0.434  1.0
  Se  Se8  1  0.660  0.885  0.099  1.0
  Se  Se9  1  0.840  0.115  0.599  1.0
  Se  Se10  1  0.340  0.385  0.401  1.0
  Se  Se11  1  0.160  0.615  0.901  1.0
  Se  Se12  1  0.635  0.696  0.597  1.0
  Se  Se13  1  0.135  0.804  0.403  1.0
  Se  Se14  1  0.365  0.196  0.903  1.0
  Se  Se15  1  0.865  0.304  0.097  1.0
  Se  Se16  1  0.340  0.865  0.665  1.0
  Se  Se17  1  0.840  0.635  0.335  1.0
  Se  Se18  1  0.660  0.365  0.835  1.0
  Se  Se19  1  0.160  0.135  0.165  1.0
  Se  Se20  1  0.421  0.087  0.569  1.0
  Se  Se21  1  0.921  0.413  0.431  1.0
  Se  Se22  1  0.579  0.587  0.931  1.0
  Se  Se23  1  0.079  0.913  0.069  1.0
[/CIF]
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The material structure described by RbCuSe4 crystallizes in the orthorhombic P2_12_12_1 space group. Rb(1) is bonded in a 14-coordinate geometry to three equivalent Cu(1), two equivalent Se(4), three equivalent Se(1), three equivalent Se(2), and three equivalent Se(3) atoms. Cu(1) is bonded to three equivalent Rb(1), one Se(1), one Se(3), and two equivalent Se(2) atoms to form a mixture of distorted corner and edge-sharing CuRb3Se4 tetrahedra. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted single-bond geometry to three equivalent Rb(1), one Cu(1), and one Se(4) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to three equivalent Rb(1) and two equivalent Cu(1) atoms. In the third Se site, Se(3) is bonded in a 1-coordinate geometry to three equivalent Rb(1), one Cu(1), and one Se(4) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to two equivalent Rb(1), one Se(1), and one Se(3) atom. is represented by the CIF file [CIF]
data_RbCuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.543
_cell_length_b   8.921
_cell_length_c   13.502
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   667.679
_cell_formula_units_Z   4
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  0.681  0.060  0.335  1.0
  Rb  Rb1  1  0.181  0.440  0.665  1.0
  Rb  Rb2  1  0.319  0.560  0.165  1.0
  Rb  Rb3  1  0.819  0.940  0.835  1.0
  Cu  Cu4  1  0.967  0.861  0.566  1.0
  Cu  Cu5  1  0.533  0.139  0.066  1.0
  Cu  Cu6  1  0.033  0.361  0.934  1.0
  Cu  Cu7  1  0.467  0.639  0.434  1.0
  Se  Se8  1  0.660  0.885  0.099  1.0
  Se  Se9  1  0.840  0.115  0.599  1.0
  Se  Se10  1  0.340  0.385  0.401  1.0
  Se  Se11  1  0.160  0.615  0.901  1.0
  Se  Se12  1  0.635  0.696  0.597  1.0
  Se  Se13  1  0.135  0.804  0.403  1.0
  Se  Se14  1  0.365  0.196  0.903  1.0
  Se  Se15  1  0.865  0.304  0.097  1.0
  Se  Se16  1  0.340  0.865  0.665  1.0
  Se  Se17  1  0.840  0.635  0.335  1.0
  Se  Se18  1  0.660  0.365  0.835  1.0
  Se  Se19  1  0.160  0.135  0.165  1.0
  Se  Se20  1  0.421  0.087  0.569  1.0
  Se  Se21  1  0.921  0.413  0.431  1.0
  Se  Se22  1  0.579  0.587  0.931  1.0
  Se  Se23  1  0.079  0.913  0.069  1.0
[/CIF]
.