The material described by Rb4Ca(Se2O7)2 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), one O(6), and one O(8) atom. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(2), one O(5), one O(7), and one O(8) atom. Ca(1) is bonded in a 5-coordinate geometry to one O(13), one O(14), one O(3), one O(8), and one O(9) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form corner-sharing SeO4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. In the fourth Se site, Se(4) is bonded in a tetrahedral geometry to one O(12), one O(14), one O(4), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), one Rb(4), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Ca(1), and one Se(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Se(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Rb(2), one Rb(3), one Rb(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(4), one Ca(1), and one Se(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1) and one Se(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), and one Se(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ca(1), one Se(1), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Rb(4), one Ca(1), and one Se(4) atom. is represented by the CIF card [CIF]
data_Rb4Ca(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.268
_cell_length_b   8.755
_cell_length_c   7.674
_cell_angle_alpha   91.354
_cell_angle_beta   94.459
_cell_angle_gamma   53.463
_symmetry_Int_Tables_number   1
_cell_volume   498.552
_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  0.182  0.410  0.279  1.0
  Rb  Rb1  1  0.449  0.808  0.152  1.0
  Rb  Rb2  1  0.745  0.574  0.676  1.0
  Rb  Rb3  1  0.558  0.193  0.803  1.0
  Ca  Ca4  1  0.093  0.836  0.545  1.0
  Se  Se5  1  0.695  0.094  0.328  1.0
  Se  Se6  1  0.883  0.277  0.158  1.0
  Se  Se7  1  0.306  0.027  0.634  1.0
  Se  Se8  1  0.086  0.684  0.886  1.0
  O  O9  1  0.598  0.279  0.454  1.0
  O  O10  1  0.722  0.371  0.998  1.0
  O  O11  1  0.331  0.832  0.525  1.0
  O  O12  1  0.245  0.622  0.046  1.0
  O  O13  1  0.570  0.107  0.158  1.0
  O  O14  1  0.838  0.426  0.319  1.0
  O  O15  1  0.461  0.921  0.809  1.0
  O  O16  1  0.182  0.566  0.700  1.0
  O  O17  1  0.825  0.881  0.429  1.0
  O  O18  1  0.090  0.164  0.102  1.0
  O  O19  1  0.397  0.092  0.497  1.0
  O  O20  1  0.945  0.640  0.946  1.0
  O  O21  1  0.894  0.076  0.257  1.0
  O  O22  1  0.977  0.914  0.817  1.0
[/CIF]
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The material described by Rb4Ca(Se2O7)2 crystallizes in the triclinic P1 space group. There are four inequivalent Rb sites. In the first Rb site, Rb(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(4), one O(5), one O(6), and one O(8) atom. In the second Rb site, Rb(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. In the third Rb site, Rb(3) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(6), and one O(7) atom. In the fourth Rb site, Rb(4) is bonded in a 7-coordinate geometry to one O(1), one O(11), one O(14), one O(2), one O(5), one O(7), and one O(8) atom. Ca(1) is bonded in a 5-coordinate geometry to one O(13), one O(14), one O(3), one O(8), and one O(9) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(13), one O(5), and one O(9) atom to form corner-sharing SeO4 tetrahedra. In the second Se site, Se(2) is bonded to one O(10), one O(13), one O(2), and one O(6) atom to form corner-sharing SeO4 tetrahedra. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(3), and one O(7) atom. In the fourth Se site, Se(4) is bonded in a tetrahedral geometry to one O(12), one O(14), one O(4), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(4), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(2), one Rb(3), one Rb(4), and one Se(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Rb(2), one Rb(3), one Ca(1), and one Se(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), and one Se(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Se(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(3), and one Se(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Rb(2), one Rb(3), one Rb(4), and one Se(3) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Rb(1), one Rb(4), one Ca(1), and one Se(4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Ca(1) and one Se(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(2), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Rb(1), one Rb(2), one Rb(4), and one Se(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Rb(1), one Rb(3), and one Se(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Ca(1), one Se(1), and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Rb(4), one Ca(1), and one Se(4) atom. is represented by the CIF card [CIF]
data_Rb4Ca(Se2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.268
_cell_length_b   8.755
_cell_length_c   7.674
_cell_angle_alpha   91.354
_cell_angle_beta   94.459
_cell_angle_gamma   53.463
_symmetry_Int_Tables_number   1
_cell_volume   498.552
_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  0.182  0.410  0.279  1.0
  Rb  Rb1  1  0.449  0.808  0.152  1.0
  Rb  Rb2  1  0.745  0.574  0.676  1.0
  Rb  Rb3  1  0.558  0.193  0.803  1.0
  Ca  Ca4  1  0.093  0.836  0.545  1.0
  Se  Se5  1  0.695  0.094  0.328  1.0
  Se  Se6  1  0.883  0.277  0.158  1.0
  Se  Se7  1  0.306  0.027  0.634  1.0
  Se  Se8  1  0.086  0.684  0.886  1.0
  O  O9  1  0.598  0.279  0.454  1.0
  O  O10  1  0.722  0.371  0.998  1.0
  O  O11  1  0.331  0.832  0.525  1.0
  O  O12  1  0.245  0.622  0.046  1.0
  O  O13  1  0.570  0.107  0.158  1.0
  O  O14  1  0.838  0.426  0.319  1.0
  O  O15  1  0.461  0.921  0.809  1.0
  O  O16  1  0.182  0.566  0.700  1.0
  O  O17  1  0.825  0.881  0.429  1.0
  O  O18  1  0.090  0.164  0.102  1.0
  O  O19  1  0.397  0.092  0.497  1.0
  O  O20  1  0.945  0.640  0.946  1.0
  O  O21  1  0.894  0.076  0.257  1.0
  O  O22  1  0.977  0.914  0.817  1.0
[/CIF]
.