The crystal structure described by K2Na2MgNb2(OF5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. Na(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(3), and one F(4) atom. Mg(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), and two equivalent F(2) atoms. O(1) is bonded in a linear geometry to one Na(1) and one Nb(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Na(1), one Mg(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Nb(1) atom. In the third F site, F(3) is bonded to two equivalent K(1), one Na(1), and one Nb(1) atom to form distorted edge-sharing FK2NaNb trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K2Na2MgNb2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   6.382
_cell_length_c   9.186
_cell_angle_alpha   89.858
_cell_angle_beta   89.858
_cell_angle_gamma   98.562
_symmetry_Int_Tables_number   1
_cell_volume   369.984
_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  0.320  0.680  0.500  1.0
  K  K1  1  0.680  0.320  0.500  1.0
  Na  Na2  1  0.745  0.745  0.791  1.0
  Na  Na3  1  0.255  0.255  0.209  1.0
  Mg  Mg4  1  0.000  0.000  0.500  1.0
  Nb  Nb5  1  0.747  0.747  0.225  1.0
  Nb  Nb6  1  0.253  0.253  0.775  1.0
  O  O7  1  0.752  0.752  0.033  1.0
  O  O8  1  0.248  0.248  0.967  1.0
  F  F9  1  0.774  0.774  0.506  1.0
  F  F10  1  0.226  0.226  0.494  1.0
  F  F11  1  0.956  0.548  0.299  1.0
  F  F12  1  0.507  0.507  0.287  1.0
  F  F13  1  0.996  0.996  0.291  1.0
  F  F14  1  0.548  0.956  0.299  1.0
  F  F15  1  0.044  0.452  0.701  1.0
  F  F16  1  0.493  0.493  0.713  1.0
  F  F17  1  0.004  0.004  0.709  1.0
  F  F18  1  0.452  0.044  0.701  1.0
[/CIF]
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The crystal structure described by K2Na2MgNb2(OF5)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(3), and four equivalent F(2) atoms. Na(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(3), and one F(4) atom. Mg(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(4) atoms. Nb(1) is bonded in a 6-coordinate geometry to one O(1), one F(1), one F(3), one F(4), and two equivalent F(2) atoms. O(1) is bonded in a linear geometry to one Na(1) and one Nb(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Na(1), one Mg(1), and one Nb(1) atom. In the second F site, F(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one Nb(1) atom. In the third F site, F(3) is bonded to two equivalent K(1), one Na(1), and one Nb(1) atom to form distorted edge-sharing FK2NaNb trigonal pyramids. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Mg(1), and one Nb(1) atom. is represented by the CIF card [CIF]
data_K2Na2MgNb2(OF5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   6.382
_cell_length_c   9.186
_cell_angle_alpha   89.858
_cell_angle_beta   89.858
_cell_angle_gamma   98.562
_symmetry_Int_Tables_number   1
_cell_volume   369.984
_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  0.320  0.680  0.500  1.0
  K  K1  1  0.680  0.320  0.500  1.0
  Na  Na2  1  0.745  0.745  0.791  1.0
  Na  Na3  1  0.255  0.255  0.209  1.0
  Mg  Mg4  1  0.000  0.000  0.500  1.0
  Nb  Nb5  1  0.747  0.747  0.225  1.0
  Nb  Nb6  1  0.253  0.253  0.775  1.0
  O  O7  1  0.752  0.752  0.033  1.0
  O  O8  1  0.248  0.248  0.967  1.0
  F  F9  1  0.774  0.774  0.506  1.0
  F  F10  1  0.226  0.226  0.494  1.0
  F  F11  1  0.956  0.548  0.299  1.0
  F  F12  1  0.507  0.507  0.287  1.0
  F  F13  1  0.996  0.996  0.291  1.0
  F  F14  1  0.548  0.956  0.299  1.0
  F  F15  1  0.044  0.452  0.701  1.0
  F  F16  1  0.493  0.493  0.713  1.0
  F  F17  1  0.004  0.004  0.709  1.0
  F  F18  1  0.452  0.044  0.701  1.0
[/CIF]
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