The crystal structure described by Rb2(TcSe2)3 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 6-coordinate geometry to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(3), one Se(6), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form distorted edge-sharing TcSe5 square pyramids. In the second Tc site, Tc(2) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(6) atom to form a mixture of distorted corner and edge-sharing TcSe5 square pyramids. In the third Tc site, Tc(3) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(6) atom to form a mixture of distorted corner and edge-sharing TcSe5 square pyramids. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Rb(2), one Tc(1), one Tc(2), and one Tc(3) atom. In the second Se site, Se(2) is bonded to two equivalent Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom to form distorted edge-sharing SeRb2Tc3 trigonal bipyramids. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom. In the fourth Se site, Se(4) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(3), one Tc(1), and one Se(5) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Tc(2), and one Tc(3) atom. is represented by the CIF card [CIF]
data_Rb2(TcSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   12.548
_cell_angle_alpha   88.856
_cell_angle_beta   88.856
_cell_angle_gamma   59.765
_symmetry_Int_Tables_number   1
_cell_volume   1135.100
_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  0.620  0.380  0.250  1.0
  Rb  Rb1  1  0.380  0.620  0.750  1.0
  Rb  Rb2  1  0.220  0.780  0.250  1.0
  Rb  Rb3  1  0.780  0.220  0.750  1.0
  Rb  Rb4  1  0.363  0.861  0.981  1.0
  Rb  Rb5  1  0.139  0.637  0.519  1.0
  Rb  Rb6  1  0.637  0.139  0.019  1.0
  Rb  Rb7  1  0.861  0.363  0.481  1.0
  Tc  Tc8  1  0.681  0.997  0.477  1.0
  Tc  Tc9  1  0.003  0.319  0.023  1.0
  Tc  Tc10  1  0.319  0.003  0.523  1.0
  Tc  Tc11  1  0.997  0.681  0.977  1.0
  Tc  Tc12  1  0.535  0.886  0.378  1.0
  Tc  Tc13  1  0.114  0.465  0.122  1.0
  Tc  Tc14  1  0.465  0.114  0.622  1.0
  Tc  Tc15  1  0.886  0.535  0.878  1.0
  Tc  Tc16  1  0.401  0.176  0.418  1.0
  Tc  Tc17  1  0.824  0.599  0.082  1.0
  Tc  Tc18  1  0.599  0.824  0.582  1.0
  Tc  Tc19  1  0.176  0.401  0.918  1.0
  Se  Se20  1  0.737  0.933  0.670  1.0
  Se  Se21  1  0.067  0.263  0.830  1.0
  Se  Se22  1  0.263  0.067  0.330  1.0
  Se  Se23  1  0.933  0.737  0.170  1.0
  Se  Se24  1  0.280  0.200  0.062  1.0
  Se  Se25  1  0.800  0.720  0.438  1.0
  Se  Se26  1  0.720  0.800  0.938  1.0
  Se  Se27  1  0.200  0.280  0.562  1.0
  Se  Se28  1  0.386  0.949  0.716  1.0
  Se  Se29  1  0.051  0.614  0.784  1.0
  Se  Se30  1  0.614  0.051  0.284  1.0
  Se  Se31  1  0.949  0.386  0.216  1.0
  Se  Se32  1  0.456  0.722  0.482  1.0
  Se  Se33  1  0.278  0.544  0.018  1.0
  Se  Se34  1  0.544  0.278  0.518  1.0
  Se  Se35  1  0.722  0.456  0.982  1.0
  Se  Se36  1  0.004  0.928  0.923  1.0
  Se  Se37  1  0.072  0.996  0.577  1.0
  Se  Se38  1  0.996  0.072  0.077  1.0
  Se  Se39  1  0.928  0.004  0.423  1.0
  Se  Se40  1  0.574  0.730  0.201  1.0
  Se  Se41  1  0.270  0.426  0.299  1.0
  Se  Se42  1  0.426  0.270  0.799  1.0
  Se  Se43  1  0.730  0.574  0.701  1.0
[/CIF]
.
The crystal structure described by Rb2(TcSe2)3 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 6-coordinate geometry to two equivalent Se(3), two equivalent Se(4), and two equivalent Se(6) atoms. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(4), two equivalent Se(5), and two equivalent Se(6) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to one Se(3), one Se(6), two equivalent Se(2), two equivalent Se(4), and two equivalent Se(5) atoms. There are three inequivalent Tc sites. In the first Tc site, Tc(1) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(5) atom to form distorted edge-sharing TcSe5 square pyramids. In the second Tc site, Tc(2) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(6) atom to form a mixture of distorted corner and edge-sharing TcSe5 square pyramids. In the third Tc site, Tc(3) is bonded to one Se(1), one Se(2), one Se(3), one Se(4), and one Se(6) atom to form a mixture of distorted corner and edge-sharing TcSe5 square pyramids. There are six inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Rb(2), one Tc(1), one Tc(2), and one Tc(3) atom. In the second Se site, Se(2) is bonded to two equivalent Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom to form distorted edge-sharing SeRb2Tc3 trigonal bipyramids. In the third Se site, Se(3) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom. In the fourth Se site, Se(4) is bonded in a 7-coordinate geometry to one Rb(1), one Rb(2), two equivalent Rb(3), one Tc(1), one Tc(2), and one Tc(3) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(3), one Tc(1), and one Se(5) atom. In the sixth Se site, Se(6) is bonded in a 5-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), one Tc(2), and one Tc(3) atom. is represented by the CIF card [CIF]
data_Rb2(TcSe2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.234
_cell_length_b   10.234
_cell_length_c   12.548
_cell_angle_alpha   88.856
_cell_angle_beta   88.856
_cell_angle_gamma   59.765
_symmetry_Int_Tables_number   1
_cell_volume   1135.100
_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  0.620  0.380  0.250  1.0
  Rb  Rb1  1  0.380  0.620  0.750  1.0
  Rb  Rb2  1  0.220  0.780  0.250  1.0
  Rb  Rb3  1  0.780  0.220  0.750  1.0
  Rb  Rb4  1  0.363  0.861  0.981  1.0
  Rb  Rb5  1  0.139  0.637  0.519  1.0
  Rb  Rb6  1  0.637  0.139  0.019  1.0
  Rb  Rb7  1  0.861  0.363  0.481  1.0
  Tc  Tc8  1  0.681  0.997  0.477  1.0
  Tc  Tc9  1  0.003  0.319  0.023  1.0
  Tc  Tc10  1  0.319  0.003  0.523  1.0
  Tc  Tc11  1  0.997  0.681  0.977  1.0
  Tc  Tc12  1  0.535  0.886  0.378  1.0
  Tc  Tc13  1  0.114  0.465  0.122  1.0
  Tc  Tc14  1  0.465  0.114  0.622  1.0
  Tc  Tc15  1  0.886  0.535  0.878  1.0
  Tc  Tc16  1  0.401  0.176  0.418  1.0
  Tc  Tc17  1  0.824  0.599  0.082  1.0
  Tc  Tc18  1  0.599  0.824  0.582  1.0
  Tc  Tc19  1  0.176  0.401  0.918  1.0
  Se  Se20  1  0.737  0.933  0.670  1.0
  Se  Se21  1  0.067  0.263  0.830  1.0
  Se  Se22  1  0.263  0.067  0.330  1.0
  Se  Se23  1  0.933  0.737  0.170  1.0
  Se  Se24  1  0.280  0.200  0.062  1.0
  Se  Se25  1  0.800  0.720  0.438  1.0
  Se  Se26  1  0.720  0.800  0.938  1.0
  Se  Se27  1  0.200  0.280  0.562  1.0
  Se  Se28  1  0.386  0.949  0.716  1.0
  Se  Se29  1  0.051  0.614  0.784  1.0
  Se  Se30  1  0.614  0.051  0.284  1.0
  Se  Se31  1  0.949  0.386  0.216  1.0
  Se  Se32  1  0.456  0.722  0.482  1.0
  Se  Se33  1  0.278  0.544  0.018  1.0
  Se  Se34  1  0.544  0.278  0.518  1.0
  Se  Se35  1  0.722  0.456  0.982  1.0
  Se  Se36  1  0.004  0.928  0.923  1.0
  Se  Se37  1  0.072  0.996  0.577  1.0
  Se  Se38  1  0.996  0.072  0.077  1.0
  Se  Se39  1  0.928  0.004  0.423  1.0
  Se  Se40  1  0.574  0.730  0.201  1.0
  Se  Se41  1  0.270  0.426  0.299  1.0
  Se  Se42  1  0.426  0.270  0.799  1.0
  Se  Se43  1  0.730  0.574  0.701  1.0
[/CIF]
.