The compound described by Rb2KCO3F crystallizes in the monoclinic C2 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(3)O5F2 pentagonal bipyramids, corners with four equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(3)O5F2 pentagonal bipyramids, edges with four equivalent K(1)O5F2 pentagonal bipyramids, and faces with four equivalent Rb(2)O5F2 pentagonal bipyramids. In the second Rb site, Rb(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(2)O5F2 pentagonal bipyramids, corners with two equivalent Rb(3)O5F2 pentagonal bipyramids, corners with two equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent Rb(3)O5F2 pentagonal bipyramids, edges with two equivalent K(1)O5F2 pentagonal bipyramids, faces with two equivalent Rb(1)O5F2 pentagonal bipyramids, and faces with two equivalent K(1)O5F2 pentagonal bipyramids. In the third Rb site, Rb(3) is bonded to one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(1)O5F2 pentagonal bipyramids, corners with four equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent Rb(1)O5F2 pentagonal bipyramids, edges with four equivalent Rb(2)O5F2 pentagonal bipyramids, and faces with four equivalent K(1)O5F2 pentagonal bipyramids. K(1) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form distorted KO5F2 pentagonal bipyramids that share corners with two equivalent Rb(1)O5F2 pentagonal bipyramids, corners with two equivalent Rb(2)O5F2 pentagonal bipyramids, corners with two equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent K(1)O5F2 pentagonal bipyramids, faces with two equivalent Rb(2)O5F2 pentagonal bipyramids, and faces with two equivalent Rb(3)O5F2 pentagonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(3), two equivalent K(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), two equivalent K(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one K(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(3), two equivalent Rb(2), two equivalent K(1), and one C(2) atom. F(1) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and two equivalent K(1) atoms to form corner-sharing FK2Rb4 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KRb2CO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   7.252
_cell_angle_alpha   64.482
_cell_angle_beta   64.482
_cell_angle_gamma   64.137
_symmetry_Int_Tables_number   1
_cell_volume   301.569
_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
  K  K0  1  0.250  0.180  0.570  1.0
  K  K1  1  0.820  0.750  0.430  1.0
  Rb  Rb2  1  0.683  0.317  0.000  1.0
  Rb  Rb3  1  0.183  0.250  0.067  1.0
  Rb  Rb4  1  0.317  0.683  0.500  1.0
  Rb  Rb5  1  0.750  0.817  0.933  1.0
  C  C6  1  0.249  0.751  0.000  1.0
  C  C7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.248  0.583  0.168  1.0
  O  O9  1  0.417  0.752  0.832  1.0
  O  O10  1  0.080  0.920  0.000  1.0
  O  O11  1  0.580  0.248  0.667  1.0
  O  O12  1  0.918  0.082  0.500  1.0
  O  O13  1  0.752  0.420  0.333  1.0
  F  F14  1  0.502  0.999  0.261  1.0
  F  F15  1  0.001  0.498  0.739  1.0
[/CIF]
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The compound described by Rb2KCO3F crystallizes in the monoclinic C2 space group. There are three inequivalent Rb sites. In the first Rb site, Rb(1) is bonded to one O(2), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(3)O5F2 pentagonal bipyramids, corners with four equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(3)O5F2 pentagonal bipyramids, edges with four equivalent K(1)O5F2 pentagonal bipyramids, and faces with four equivalent Rb(2)O5F2 pentagonal bipyramids. In the second Rb site, Rb(2) is bonded to one O(1), one O(2), one O(4), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(2)O5F2 pentagonal bipyramids, corners with two equivalent Rb(3)O5F2 pentagonal bipyramids, corners with two equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent Rb(3)O5F2 pentagonal bipyramids, edges with two equivalent K(1)O5F2 pentagonal bipyramids, faces with two equivalent Rb(1)O5F2 pentagonal bipyramids, and faces with two equivalent K(1)O5F2 pentagonal bipyramids. In the third Rb site, Rb(3) is bonded to one O(4), two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form distorted RbO5F2 pentagonal bipyramids that share corners with two equivalent Rb(1)O5F2 pentagonal bipyramids, corners with four equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent Rb(1)O5F2 pentagonal bipyramids, edges with four equivalent Rb(2)O5F2 pentagonal bipyramids, and faces with four equivalent K(1)O5F2 pentagonal bipyramids. K(1) is bonded to one O(2), one O(3), one O(4), two equivalent O(1), and two equivalent F(1) atoms to form distorted KO5F2 pentagonal bipyramids that share corners with two equivalent Rb(1)O5F2 pentagonal bipyramids, corners with two equivalent Rb(2)O5F2 pentagonal bipyramids, corners with two equivalent K(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(1)O5F2 pentagonal bipyramids, edges with two equivalent Rb(2)O5F2 pentagonal bipyramids, edges with two equivalent K(1)O5F2 pentagonal bipyramids, faces with two equivalent Rb(2)O5F2 pentagonal bipyramids, and faces with two equivalent Rb(3)O5F2 pentagonal bipyramids. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(4) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(2), one Rb(3), two equivalent K(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1), two equivalent Rb(2), two equivalent K(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Rb(1), one Rb(3), two equivalent Rb(2), one K(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Rb(3), two equivalent Rb(2), two equivalent K(1), and one C(2) atom. F(1) is bonded to one Rb(1), one Rb(3), two equivalent Rb(2), and two equivalent K(1) atoms to form corner-sharing FK2Rb4 octahedra. The corner-sharing octahedral tilt angles range from 22-24°. is represented by the Crystallographic Information File (CIF) [CIF]
data_KRb2CO3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.326
_cell_length_b   7.326
_cell_length_c   7.252
_cell_angle_alpha   64.482
_cell_angle_beta   64.482
_cell_angle_gamma   64.137
_symmetry_Int_Tables_number   1
_cell_volume   301.569
_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
  K  K0  1  0.250  0.180  0.570  1.0
  K  K1  1  0.820  0.750  0.430  1.0
  Rb  Rb2  1  0.683  0.317  0.000  1.0
  Rb  Rb3  1  0.183  0.250  0.067  1.0
  Rb  Rb4  1  0.317  0.683  0.500  1.0
  Rb  Rb5  1  0.750  0.817  0.933  1.0
  C  C6  1  0.249  0.751  0.000  1.0
  C  C7  1  0.750  0.250  0.500  1.0
  O  O8  1  0.248  0.583  0.168  1.0
  O  O9  1  0.417  0.752  0.832  1.0
  O  O10  1  0.080  0.920  0.000  1.0
  O  O11  1  0.580  0.248  0.667  1.0
  O  O12  1  0.918  0.082  0.500  1.0
  O  O13  1  0.752  0.420  0.333  1.0
  F  F14  1  0.502  0.999  0.261  1.0
  F  F15  1  0.001  0.498  0.739  1.0
[/CIF]
.