The material structure described by Rb4Li(Se2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms. Li(1) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing SeO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Rb(2), one Li(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Se(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_Rb4Li(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.408
_cell_length_c   7.773
_cell_angle_alpha   87.166
_cell_angle_beta   87.186
_cell_angle_gamma   57.920
_symmetry_Int_Tables_number   1
_cell_volume   454.900
_cell_formula_units_Z   1
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  0.218  0.516  0.363  1.0
  Rb  Rb1  1  0.505  0.807  0.152  1.0
  Rb  Rb2  1  0.781  0.484  0.637  1.0
  Rb  Rb3  1  0.495  0.193  0.848  1.0
  Li  Li4  1  0.000  1.000  1.000  1.0
  Se  Se5  1  0.709  0.076  0.364  1.0
  Se  Se6  1  0.911  0.309  0.153  1.0
  Se  Se7  1  0.291  0.924  0.636  1.0
  Se  Se8  1  0.089  0.691  0.847  1.0
  O  O9  1  0.630  0.249  0.502  1.0
  O  O10  1  0.732  0.401  0.015  1.0
  O  O11  1  0.370  0.751  0.498  1.0
  O  O12  1  0.268  0.599  0.986  1.0
  O  O13  1  0.543  0.130  0.221  1.0
  O  O14  1  0.907  0.478  0.263  1.0
  O  O15  1  0.457  0.870  0.779  1.0
  O  O16  1  0.093  0.522  0.737  1.0
  O  O17  1  0.797  0.865  0.454  1.0
  O  O18  1  0.117  0.162  0.048  1.0
  O  O19  1  0.204  0.135  0.545  1.0
  O  O20  1  0.882  0.838  0.952  1.0
  O  O21  1  0.909  0.063  0.252  1.0
  O  O22  1  0.091  0.937  0.748  1.0
[/CIF]
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The material structure described by Rb4Li(Se2O7)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms. In the second Rb site, Rb(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms. Li(1) is bonded in a square co-planar geometry to two equivalent O(6) and two equivalent O(7) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(3), one O(5), and one O(7) atom to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form distorted corner-sharing SeO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), and one Se(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Rb(2), two equivalent Rb(1), and one Se(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Rb(1) and one Se(1) atom. In the sixth O site, O(6) is bonded in a distorted L-shaped geometry to one Rb(2), one Li(1), and one Se(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(1), one Se(1), and one Se(2) atom. is represented by the CIF card [CIF]
data_Rb4Li(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.227
_cell_length_b   8.408
_cell_length_c   7.773
_cell_angle_alpha   87.166
_cell_angle_beta   87.186
_cell_angle_gamma   57.920
_symmetry_Int_Tables_number   1
_cell_volume   454.900
_cell_formula_units_Z   1
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  0.218  0.516  0.363  1.0
  Rb  Rb1  1  0.505  0.807  0.152  1.0
  Rb  Rb2  1  0.781  0.484  0.637  1.0
  Rb  Rb3  1  0.495  0.193  0.848  1.0
  Li  Li4  1  0.000  1.000  1.000  1.0
  Se  Se5  1  0.709  0.076  0.364  1.0
  Se  Se6  1  0.911  0.309  0.153  1.0
  Se  Se7  1  0.291  0.924  0.636  1.0
  Se  Se8  1  0.089  0.691  0.847  1.0
  O  O9  1  0.630  0.249  0.502  1.0
  O  O10  1  0.732  0.401  0.015  1.0
  O  O11  1  0.370  0.751  0.498  1.0
  O  O12  1  0.268  0.599  0.986  1.0
  O  O13  1  0.543  0.130  0.221  1.0
  O  O14  1  0.907  0.478  0.263  1.0
  O  O15  1  0.457  0.870  0.779  1.0
  O  O16  1  0.093  0.522  0.737  1.0
  O  O17  1  0.797  0.865  0.454  1.0
  O  O18  1  0.117  0.162  0.048  1.0
  O  O19  1  0.204  0.135  0.545  1.0
  O  O20  1  0.882  0.838  0.952  1.0
  O  O21  1  0.909  0.063  0.252  1.0
  O  O22  1  0.091  0.937  0.748  1.0
[/CIF]
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