The structure described by Rb3GePSe7 crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(3), one Se(4), one Se(7), two equivalent Se(1), and two equivalent Se(5) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), two equivalent Se(3), and three equivalent Se(7) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(5), and two equivalent Se(6) atoms. Ge(1) is bonded to one Se(3), one Se(5), and two equivalent Se(4) atoms to form edge-sharing GeSe4 tetrahedra. P(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(6), and one Se(7) atom. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), and one P(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(3), one P(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), one Ge(1), and one Se(2) atom. In the fourth Se site, Se(4) is bonded to one Rb(1), one Rb(2), and two equivalent Ge(1) atoms to form distorted edge-sharing SeRb2Ge2 trigonal pyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ge(1) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(3), and one P(1) atom. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Rb3GePSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   10.012
_cell_length_c   12.198
_cell_angle_alpha   101.308
_cell_angle_beta   89.531
_cell_angle_gamma   111.429
_symmetry_Int_Tables_number   1
_cell_volume   825.743
_cell_formula_units_Z   2
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  0.941  0.480  0.210  1.0
  Rb  Rb1  1  0.059  0.520  0.790  1.0
  Rb  Rb2  1  0.320  0.126  0.604  1.0
  Rb  Rb3  1  0.680  0.874  0.396  1.0
  Rb  Rb4  1  0.386  0.194  0.989  1.0
  Rb  Rb5  1  0.614  0.806  0.011  1.0
  Ge  Ge6  1  0.601  0.564  0.628  1.0
  Ge  Ge7  1  0.399  0.436  0.372  1.0
  P  P8  1  0.769  0.071  0.781  1.0
  P  P9  1  0.231  0.929  0.219  1.0
  Se  Se10  1  0.890  0.224  0.943  1.0
  Se  Se11  1  0.110  0.776  0.057  1.0
  Se  Se12  1  0.956  0.935  0.805  1.0
  Se  Se13  1  0.044  0.065  0.195  1.0
  Se  Se14  1  0.917  0.763  0.633  1.0
  Se  Se15  1  0.083  0.237  0.367  1.0
  Se  Se16  1  0.650  0.392  0.469  1.0
  Se  Se17  1  0.350  0.608  0.531  1.0
  Se  Se18  1  0.531  0.485  0.794  1.0
  Se  Se19  1  0.469  0.515  0.206  1.0
  Se  Se20  1  0.536  0.070  0.224  1.0
  Se  Se21  1  0.464  0.930  0.776  1.0
  Se  Se22  1  0.846  0.167  0.632  1.0
  Se  Se23  1  0.154  0.833  0.368  1.0
[/CIF]
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The structure described by Rb3GePSe7 crystallizes in the triclinic P-1 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 7-coordinate geometry to one Se(3), one Se(4), one Se(7), two equivalent Se(1), and two equivalent Se(5) atoms. In the second Rb site, Rb(2) is bonded in a 9-coordinate geometry to one Se(2), one Se(4), one Se(5), one Se(6), two equivalent Se(3), and three equivalent Se(7) atoms. In the third Rb site, Rb(3) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), two equivalent Se(5), and two equivalent Se(6) atoms. Ge(1) is bonded to one Se(3), one Se(5), and two equivalent Se(4) atoms to form edge-sharing GeSe4 tetrahedra. P(1) is bonded in a tetrahedral geometry to one Se(1), one Se(2), one Se(6), and one Se(7) atom. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to two equivalent Rb(1), two equivalent Rb(3), and one P(1) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one Rb(2), two equivalent Rb(3), one P(1), and one Se(3) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), one Ge(1), and one Se(2) atom. In the fourth Se site, Se(4) is bonded to one Rb(1), one Rb(2), and two equivalent Ge(1) atoms to form distorted edge-sharing SeRb2Ge2 trigonal pyramids. In the fifth Se site, Se(5) is bonded in a 6-coordinate geometry to one Rb(2), two equivalent Rb(1), two equivalent Rb(3), and one Ge(1) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(3), and one P(1) atom. In the seventh Se site, Se(7) is bonded in a 5-coordinate geometry to one Rb(1), three equivalent Rb(2), and one P(1) atom. is represented by the CIF card [CIF]
data_Rb3GePSe7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   10.012
_cell_length_c   12.198
_cell_angle_alpha   101.308
_cell_angle_beta   89.531
_cell_angle_gamma   111.429
_symmetry_Int_Tables_number   1
_cell_volume   825.743
_cell_formula_units_Z   2
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  0.941  0.480  0.210  1.0
  Rb  Rb1  1  0.059  0.520  0.790  1.0
  Rb  Rb2  1  0.320  0.126  0.604  1.0
  Rb  Rb3  1  0.680  0.874  0.396  1.0
  Rb  Rb4  1  0.386  0.194  0.989  1.0
  Rb  Rb5  1  0.614  0.806  0.011  1.0
  Ge  Ge6  1  0.601  0.564  0.628  1.0
  Ge  Ge7  1  0.399  0.436  0.372  1.0
  P  P8  1  0.769  0.071  0.781  1.0
  P  P9  1  0.231  0.929  0.219  1.0
  Se  Se10  1  0.890  0.224  0.943  1.0
  Se  Se11  1  0.110  0.776  0.057  1.0
  Se  Se12  1  0.956  0.935  0.805  1.0
  Se  Se13  1  0.044  0.065  0.195  1.0
  Se  Se14  1  0.917  0.763  0.633  1.0
  Se  Se15  1  0.083  0.237  0.367  1.0
  Se  Se16  1  0.650  0.392  0.469  1.0
  Se  Se17  1  0.350  0.608  0.531  1.0
  Se  Se18  1  0.531  0.485  0.794  1.0
  Se  Se19  1  0.469  0.515  0.206  1.0
  Se  Se20  1  0.536  0.070  0.224  1.0
  Se  Se21  1  0.464  0.930  0.776  1.0
  Se  Se22  1  0.846  0.167  0.632  1.0
  Se  Se23  1  0.154  0.833  0.368  1.0
[/CIF]
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