The material described by Mg(KNaNbOF5)2 crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7439-95-4 atom inside a KNaNbOF5 framework. In the KNaNbOF5 framework, there are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, faces with four equivalent K(2)F12 cuboctahedra, faces with four equivalent Na(1)OF5 octahedra, and faces with four equivalent Nb(1)OF5 octahedra. In the second K site, K(2) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with four equivalent K(2)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, faces with four equivalent Na(1)OF5 octahedra, and faces with four equivalent Nb(1)OF5 octahedra. Na(1) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form NaOF5 octahedra that share corners with six equivalent Nb(1)OF5 octahedra, faces with two equivalent K(1)F12 cuboctahedra, and faces with two equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. Nb(1) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form distorted NbOF5 octahedra that share corners with six equivalent Na(1)OF5 octahedra, faces with two equivalent K(1)F12 cuboctahedra, and faces with two equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. O(1) is bonded in a linear geometry to one Na(1) and one Nb(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), one Na(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Na(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_K2Na2MgNb2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   8.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.746
_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
  K  K0  1  0.250  0.750  0.500  1.0
  K  K1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.750  0.750  0.763  1.0
  Na  Na3  1  0.250  0.250  0.237  1.0
  Mg  Mg4  1  0.250  0.750  0.000  1.0
  Nb  Nb5  1  0.750  0.750  0.238  1.0
  Nb  Nb6  1  0.250  0.250  0.762  1.0
  O  O7  1  0.750  0.750  0.034  1.0
  O  O8  1  0.250  0.250  0.966  1.0
  F  F9  1  0.750  0.750  0.488  1.0
  F  F10  1  0.250  0.250  0.512  1.0
  F  F11  1  0.980  0.517  0.275  1.0
  F  F12  1  0.520  0.517  0.275  1.0
  F  F13  1  0.980  0.983  0.275  1.0
  F  F14  1  0.520  0.983  0.275  1.0
  F  F15  1  0.017  0.480  0.725  1.0
  F  F16  1  0.483  0.480  0.725  1.0
  F  F17  1  0.017  0.020  0.725  1.0
  F  F18  1  0.483  0.020  0.725  1.0
[/CIF]
.
The material described by Mg(KNaNbOF5)2 crystallizes in the tetragonal P-4m2 space group. The structure consists of one 7439-95-4 atom inside a KNaNbOF5 framework. In the KNaNbOF5 framework, there are two inequivalent K sites. In the first K site, K(1) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with four equivalent K(1)F12 cuboctahedra, faces with four equivalent K(2)F12 cuboctahedra, faces with four equivalent Na(1)OF5 octahedra, and faces with four equivalent Nb(1)OF5 octahedra. In the second K site, K(2) is bonded to four equivalent F(1) and eight equivalent F(2) atoms to form KF12 cuboctahedra that share corners with four equivalent K(2)F12 cuboctahedra, faces with four equivalent K(1)F12 cuboctahedra, faces with four equivalent Na(1)OF5 octahedra, and faces with four equivalent Nb(1)OF5 octahedra. Na(1) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form NaOF5 octahedra that share corners with six equivalent Nb(1)OF5 octahedra, faces with two equivalent K(1)F12 cuboctahedra, and faces with two equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. Nb(1) is bonded to one O(1), one F(1), and four equivalent F(2) atoms to form distorted NbOF5 octahedra that share corners with six equivalent Na(1)OF5 octahedra, faces with two equivalent K(1)F12 cuboctahedra, and faces with two equivalent K(2)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-18°. O(1) is bonded in a linear geometry to one Na(1) and one Nb(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted linear geometry to two equivalent K(1), two equivalent K(2), one Na(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one Na(1), and one Nb(1) atom. is represented by the CIF file [CIF]
data_K2Na2MgNb2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.092
_cell_length_b   6.092
_cell_length_c   8.751
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.746
_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
  K  K0  1  0.250  0.750  0.500  1.0
  K  K1  1  0.750  0.250  0.500  1.0
  Na  Na2  1  0.750  0.750  0.763  1.0
  Na  Na3  1  0.250  0.250  0.237  1.0
  Mg  Mg4  1  0.250  0.750  0.000  1.0
  Nb  Nb5  1  0.750  0.750  0.238  1.0
  Nb  Nb6  1  0.250  0.250  0.762  1.0
  O  O7  1  0.750  0.750  0.034  1.0
  O  O8  1  0.250  0.250  0.966  1.0
  F  F9  1  0.750  0.750  0.488  1.0
  F  F10  1  0.250  0.250  0.512  1.0
  F  F11  1  0.980  0.517  0.275  1.0
  F  F12  1  0.520  0.517  0.275  1.0
  F  F13  1  0.980  0.983  0.275  1.0
  F  F14  1  0.520  0.983  0.275  1.0
  F  F15  1  0.017  0.480  0.725  1.0
  F  F16  1  0.483  0.480  0.725  1.0
  F  F17  1  0.017  0.020  0.725  1.0
  F  F18  1  0.483  0.020  0.725  1.0
[/CIF]
.