The compound described by RbTaGeS5 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 10-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(3) atoms. Ta(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form TaS6 octahedra that share corners with two equivalent Ge(1)S4 tetrahedra and edges with two equivalent Ta(1)S6 octahedra. Ge(1) is bonded to one S(3), one S(4), and two equivalent S(5) atoms to form GeS4 tetrahedra that share corners with two equivalent Ta(1)S6 octahedra and  an edgeedge with one Ge(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-75°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Rb(1) and two equivalent Ta(1) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ta(1) atoms. In the third S site, S(3) is bonded in a 2-coordinate geometry to three equivalent Rb(1), one Ta(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ta(1), and one Ge(1) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_RbTaGeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.210
_cell_length_c   9.141
_cell_angle_alpha   69.488
_cell_angle_beta   78.564
_cell_angle_gamma   74.821
_symmetry_Int_Tables_number   1
_cell_volume   416.457
_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  0.590  0.363  0.311  1.0
  Rb  Rb1  1  0.410  0.637  0.689  1.0
  Ta  Ta2  1  0.239  0.031  0.006  1.0
  Ta  Ta3  1  0.761  0.969  0.994  1.0
  Ge  Ge4  1  0.981  0.703  0.375  1.0
  Ge  Ge5  1  0.019  0.297  0.625  1.0
  S  S6  1  0.070  0.757  1.000  1.0
  S  S7  1  0.435  0.228  0.031  1.0
  S  S8  1  0.696  0.874  0.290  1.0
  S  S9  1  0.226  0.862  0.295  1.0
  S  S10  1  0.066  0.386  0.359  1.0
  S  S11  1  0.934  0.614  0.641  1.0
  S  S12  1  0.774  0.138  0.705  1.0
  S  S13  1  0.304  0.126  0.710  1.0
  S  S14  1  0.565  0.772  0.969  1.0
  S  S15  1  0.930  0.243  0.000  1.0
[/CIF]
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The compound described by RbTaGeS5 crystallizes in the triclinic P-1 space group. Rb(1) is bonded in a 10-coordinate geometry to one S(1), two equivalent S(2), two equivalent S(4), two equivalent S(5), and three equivalent S(3) atoms. Ta(1) is bonded to one S(3), one S(4), two equivalent S(1), and two equivalent S(2) atoms to form TaS6 octahedra that share corners with two equivalent Ge(1)S4 tetrahedra and edges with two equivalent Ta(1)S6 octahedra. Ge(1) is bonded to one S(3), one S(4), and two equivalent S(5) atoms to form GeS4 tetrahedra that share corners with two equivalent Ta(1)S6 octahedra and  an edgeedge with one Ge(1)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 71-75°. There are five inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to one Rb(1) and two equivalent Ta(1) atoms. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ta(1) atoms. In the third S site, S(3) is bonded in a 2-coordinate geometry to three equivalent Rb(1), one Ta(1), and one Ge(1) atom. In the fourth S site, S(4) is bonded in a distorted water-like geometry to two equivalent Rb(1), one Ta(1), and one Ge(1) atom. In the fifth S site, S(5) is bonded in a 4-coordinate geometry to two equivalent Rb(1) and two equivalent Ge(1) atoms. is represented by the CIF file [CIF]
data_RbTaGeS5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.040
_cell_length_b   7.210
_cell_length_c   9.141
_cell_angle_alpha   69.488
_cell_angle_beta   78.564
_cell_angle_gamma   74.821
_symmetry_Int_Tables_number   1
_cell_volume   416.457
_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  0.590  0.363  0.311  1.0
  Rb  Rb1  1  0.410  0.637  0.689  1.0
  Ta  Ta2  1  0.239  0.031  0.006  1.0
  Ta  Ta3  1  0.761  0.969  0.994  1.0
  Ge  Ge4  1  0.981  0.703  0.375  1.0
  Ge  Ge5  1  0.019  0.297  0.625  1.0
  S  S6  1  0.070  0.757  1.000  1.0
  S  S7  1  0.435  0.228  0.031  1.0
  S  S8  1  0.696  0.874  0.290  1.0
  S  S9  1  0.226  0.862  0.295  1.0
  S  S10  1  0.066  0.386  0.359  1.0
  S  S11  1  0.934  0.614  0.641  1.0
  S  S12  1  0.774  0.138  0.705  1.0
  S  S13  1  0.304  0.126  0.710  1.0
  S  S14  1  0.565  0.772  0.969  1.0
  S  S15  1  0.930  0.243  0.000  1.0
[/CIF]
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