The compound described by K2NaMgVOF5 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent O(1), two equivalent F(2), and four equivalent F(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent F(1) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent F(1) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one K(1) and four equivalent F(1) atoms. V(1) is bonded in an octahedral geometry to one O(1), one F(2), and four equivalent F(1) atoms. O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent K(2), one Na(1), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Na(1), one Mg(1), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent K(1) and one V(1) atom. is represented by the CIF file [CIF]
data_K2NaMgVOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.020
_cell_length_c   6.821
_cell_angle_alpha   63.804
_cell_angle_beta   49.486
_cell_angle_gamma   63.804
_symmetry_Int_Tables_number   1
_cell_volume   186.125
_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  0.325  0.175  0.325  1.0
  K  K1  1  0.687  0.813  0.687  1.0
  Na  Na2  1  0.408  0.592  0.408  1.0
  Mg  Mg3  1  0.022  0.478  0.022  1.0
  V  V4  1  0.018  0.982  0.018  1.0
  O  O5  1  0.207  0.793  0.207  1.0
  F  F6  1  0.241  0.273  0.765  1.0
  F  F7  1  0.765  0.273  0.241  1.0
  F  F8  1  0.241  0.720  0.765  1.0
  F  F9  1  0.765  0.720  0.241  1.0
  F  F10  1  0.820  0.180  0.820  1.0
[/CIF]
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The compound described by K2NaMgVOF5 crystallizes in the orthorhombic Imm2 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one Mg(1), two equivalent O(1), two equivalent F(2), and four equivalent F(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent F(1) atoms. Na(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent F(1) atoms. Mg(1) is bonded in a rectangular see-saw-like geometry to one K(1) and four equivalent F(1) atoms. V(1) is bonded in an octahedral geometry to one O(1), one F(2), and four equivalent F(1) atoms. O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), two equivalent K(2), one Na(1), and one V(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Na(1), one Mg(1), and one V(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent K(1) and one V(1) atom. is represented by the CIF file [CIF]
data_K2NaMgVOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.821
_cell_length_b   6.020
_cell_length_c   6.821
_cell_angle_alpha   63.804
_cell_angle_beta   49.486
_cell_angle_gamma   63.804
_symmetry_Int_Tables_number   1
_cell_volume   186.125
_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  0.325  0.175  0.325  1.0
  K  K1  1  0.687  0.813  0.687  1.0
  Na  Na2  1  0.408  0.592  0.408  1.0
  Mg  Mg3  1  0.022  0.478  0.022  1.0
  V  V4  1  0.018  0.982  0.018  1.0
  O  O5  1  0.207  0.793  0.207  1.0
  F  F6  1  0.241  0.273  0.765  1.0
  F  F7  1  0.765  0.273  0.241  1.0
  F  F8  1  0.241  0.720  0.765  1.0
  F  F9  1  0.765  0.720  0.241  1.0
  F  F10  1  0.820  0.180  0.820  1.0
[/CIF]
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