The material described by Rb2Cd3Te4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a body-centered cubic geometry to two equivalent Te(2), two equivalent Te(3), two equivalent Te(4), and two equivalent Te(5) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Te(2), one Te(3), two equivalent Te(1), two equivalent Te(4), and two equivalent Te(5) atoms. In the third Rb site, Rb(3) is bonded in a body-centered cubic geometry to two equivalent Te(4), two equivalent Te(5), and four equivalent Te(1) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Te(1), one Te(2), one Te(4), and one Te(5) atom to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Te(1), one Te(3), and two equivalent Te(4) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the third Cd site, Cd(3) is bonded to one Te(1), one Te(2), and two equivalent Te(5) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), one Cd(1), one Cd(2), and one Cd(3) atom. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Cd(1), and two equivalent Cd(3) atoms. In the third Te site, Te(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cd(2) atoms to form distorted corner-sharing TeRb4Cd2 pentagonal pyramids. In the fourth Te site, Te(4) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Cd(1), and two equivalent Cd(2) atoms. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Cd(1), and two equivalent Cd(3) atoms. is represented by the CIF card [CIF]
data_Rb2Cd3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.705
_cell_length_b   10.705
_cell_length_c   13.064
_cell_angle_alpha   72.418
_cell_angle_beta   72.418
_cell_angle_gamma   93.581
_symmetry_Int_Tables_number   1
_cell_volume   1340.780
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.751  0.755  0.363  1.0
  Rb  Rb2  1  0.755  0.751  0.863  1.0
  Rb  Rb3  1  0.249  0.245  0.637  1.0
  Rb  Rb4  1  0.498  0.502  0.250  1.0
  Rb  Rb5  1  0.502  0.498  0.750  1.0
  Rb  Rb6  1  0.000  0.000  0.500  1.0
  Rb  Rb7  1  0.245  0.249  0.137  1.0
  Cd  Cd8  1  0.408  0.889  0.801  1.0
  Cd  Cd9  1  0.125  0.648  0.410  1.0
  Cd  Cd10  1  0.875  0.352  0.590  1.0
  Cd  Cd11  1  0.648  0.125  0.910  1.0
  Cd  Cd12  1  0.111  0.592  0.699  1.0
  Cd  Cd13  1  0.592  0.111  0.199  1.0
  Cd  Cd14  1  0.889  0.408  0.301  1.0
  Cd  Cd15  1  0.379  0.859  0.543  1.0
  Cd  Cd16  1  0.141  0.621  0.957  1.0
  Cd  Cd17  1  0.621  0.141  0.457  1.0
  Cd  Cd18  1  0.859  0.379  0.043  1.0
  Cd  Cd19  1  0.352  0.875  0.090  1.0
  Te  Te20  1  0.343  0.620  0.502  1.0
  Te  Te21  1  0.380  0.657  0.998  1.0
  Te  Te22  1  0.657  0.380  0.498  1.0
  Te  Te23  1  0.620  0.343  0.002  1.0
  Te  Te24  1  0.843  0.157  0.250  1.0
  Te  Te25  1  0.157  0.843  0.750  1.0
  Te  Te26  1  0.118  0.882  0.250  1.0
  Te  Te27  1  0.882  0.118  0.750  1.0
  Te  Te28  1  0.394  0.107  0.878  1.0
  Te  Te29  1  0.606  0.893  0.122  1.0
  Te  Te30  1  0.107  0.394  0.378  1.0
  Te  Te31  1  0.616  0.885  0.608  1.0
  Te  Te32  1  0.115  0.384  0.892  1.0
  Te  Te33  1  0.384  0.115  0.392  1.0
  Te  Te34  1  0.885  0.616  0.108  1.0
  Te  Te35  1  0.893  0.606  0.622  1.0
[/CIF]
.
The material described by Rb2Cd3Te4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a body-centered cubic geometry to two equivalent Te(2), two equivalent Te(3), two equivalent Te(4), and two equivalent Te(5) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one Te(2), one Te(3), two equivalent Te(1), two equivalent Te(4), and two equivalent Te(5) atoms. In the third Rb site, Rb(3) is bonded in a body-centered cubic geometry to two equivalent Te(4), two equivalent Te(5), and four equivalent Te(1) atoms. There are three inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one Te(1), one Te(2), one Te(4), and one Te(5) atom to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the second Cd site, Cd(2) is bonded to one Te(1), one Te(3), and two equivalent Te(4) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. In the third Cd site, Cd(3) is bonded to one Te(1), one Te(2), and two equivalent Te(5) atoms to form a mixture of corner and edge-sharing CdTe4 tetrahedra. There are five inequivalent Te sites. In the first Te site, Te(1) is bonded in a 7-coordinate geometry to two equivalent Rb(2), two equivalent Rb(3), one Cd(1), one Cd(2), and one Cd(3) atom. In the second Te site, Te(2) is bonded in a 8-coordinate geometry to two equivalent Rb(1), two equivalent Rb(2), two equivalent Cd(1), and two equivalent Cd(3) atoms. In the third Te site, Te(3) is bonded to two equivalent Rb(1), two equivalent Rb(2), and two equivalent Cd(2) atoms to form distorted corner-sharing TeRb4Cd2 pentagonal pyramids. In the fourth Te site, Te(4) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Cd(1), and two equivalent Cd(2) atoms. In the fifth Te site, Te(5) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one Cd(1), and two equivalent Cd(3) atoms. is represented by the CIF card [CIF]
data_Rb2Cd3Te4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.705
_cell_length_b   10.705
_cell_length_c   13.064
_cell_angle_alpha   72.418
_cell_angle_beta   72.418
_cell_angle_gamma   93.581
_symmetry_Int_Tables_number   1
_cell_volume   1340.780
_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  0.000  0.000  0.000  1.0
  Rb  Rb1  1  0.751  0.755  0.363  1.0
  Rb  Rb2  1  0.755  0.751  0.863  1.0
  Rb  Rb3  1  0.249  0.245  0.637  1.0
  Rb  Rb4  1  0.498  0.502  0.250  1.0
  Rb  Rb5  1  0.502  0.498  0.750  1.0
  Rb  Rb6  1  0.000  0.000  0.500  1.0
  Rb  Rb7  1  0.245  0.249  0.137  1.0
  Cd  Cd8  1  0.408  0.889  0.801  1.0
  Cd  Cd9  1  0.125  0.648  0.410  1.0
  Cd  Cd10  1  0.875  0.352  0.590  1.0
  Cd  Cd11  1  0.648  0.125  0.910  1.0
  Cd  Cd12  1  0.111  0.592  0.699  1.0
  Cd  Cd13  1  0.592  0.111  0.199  1.0
  Cd  Cd14  1  0.889  0.408  0.301  1.0
  Cd  Cd15  1  0.379  0.859  0.543  1.0
  Cd  Cd16  1  0.141  0.621  0.957  1.0
  Cd  Cd17  1  0.621  0.141  0.457  1.0
  Cd  Cd18  1  0.859  0.379  0.043  1.0
  Cd  Cd19  1  0.352  0.875  0.090  1.0
  Te  Te20  1  0.343  0.620  0.502  1.0
  Te  Te21  1  0.380  0.657  0.998  1.0
  Te  Te22  1  0.657  0.380  0.498  1.0
  Te  Te23  1  0.620  0.343  0.002  1.0
  Te  Te24  1  0.843  0.157  0.250  1.0
  Te  Te25  1  0.157  0.843  0.750  1.0
  Te  Te26  1  0.118  0.882  0.250  1.0
  Te  Te27  1  0.882  0.118  0.750  1.0
  Te  Te28  1  0.394  0.107  0.878  1.0
  Te  Te29  1  0.606  0.893  0.122  1.0
  Te  Te30  1  0.107  0.394  0.378  1.0
  Te  Te31  1  0.616  0.885  0.608  1.0
  Te  Te32  1  0.115  0.384  0.892  1.0
  Te  Te33  1  0.384  0.115  0.392  1.0
  Te  Te34  1  0.885  0.616  0.108  1.0
  Te  Te35  1  0.893  0.606  0.622  1.0
[/CIF]
.