The structure described by Na3MgMo(OF)3 crystallizes in the trigonal R3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent F(1) atoms. In the second Na site, Na(2) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted NaO3F3 octahedra that share corners with three equivalent Na(3)O3F3 octahedra, corners with six equivalent Mo(1)O3F3 octahedra, edges with three equivalent Mg(1)O3F3 octahedra, and  a faceface with one Na(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. In the third Na site, Na(3) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted NaO3F3 octahedra that share corners with three equivalent Na(2)O3F3 octahedra, corners with three equivalent Mg(1)O3F3 octahedra, edges with three equivalent Mo(1)O3F3 octahedra,  a faceface with one Na(2)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. Mg(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form MgO3F3 octahedra that share corners with three equivalent Na(3)O3F3 octahedra, corners with three equivalent Mo(1)O3F3 octahedra, edges with three equivalent Na(2)O3F3 octahedra,  a faceface with one Na(3)O3F3 octahedra, and  a faceface with one Mo(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. Mo(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form MoO3F3 octahedra that share corners with three equivalent Mg(1)O3F3 octahedra, corners with six equivalent Na(2)O3F3 octahedra, edges with three equivalent Na(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-60°. O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one Mo(1) atom. F(1) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FNa3MgMo trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3MgMo(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   6.226
_cell_length_c   6.226
_cell_angle_alpha   53.951
_cell_angle_beta   53.951
_cell_angle_gamma   53.951
_symmetry_Int_Tables_number   1
_cell_volume   146.533
_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
  Na  Na0  1  0.762  0.762  0.762  1.0
  Na  Na1  1  0.492  0.492  0.492  1.0
  Na  Na2  1  0.322  0.322  0.322  1.0
  Mg  Mg3  1  0.147  0.147  0.147  1.0
  Mo  Mo4  1  0.983  0.983  0.983  1.0
  O  O5  1  0.317  0.768  0.087  1.0
  O  O6  1  0.087  0.317  0.768  1.0
  O  O7  1  0.768  0.087  0.317  1.0
  F  F8  1  0.551  0.166  0.947  1.0
  F  F9  1  0.166  0.947  0.551  1.0
  F  F10  1  0.947  0.551  0.166  1.0
[/CIF]
.
The structure described by Na3MgMo(OF)3 crystallizes in the trigonal R3 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent F(1) atoms. In the second Na site, Na(2) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted NaO3F3 octahedra that share corners with three equivalent Na(3)O3F3 octahedra, corners with six equivalent Mo(1)O3F3 octahedra, edges with three equivalent Mg(1)O3F3 octahedra, and  a faceface with one Na(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-60°. In the third Na site, Na(3) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form distorted NaO3F3 octahedra that share corners with three equivalent Na(2)O3F3 octahedra, corners with three equivalent Mg(1)O3F3 octahedra, edges with three equivalent Mo(1)O3F3 octahedra,  a faceface with one Na(2)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-58°. Mg(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form MgO3F3 octahedra that share corners with three equivalent Na(3)O3F3 octahedra, corners with three equivalent Mo(1)O3F3 octahedra, edges with three equivalent Na(2)O3F3 octahedra,  a faceface with one Na(3)O3F3 octahedra, and  a faceface with one Mo(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-38°. Mo(1) is bonded to three equivalent O(1) and three equivalent F(1) atoms to form MoO3F3 octahedra that share corners with three equivalent Mg(1)O3F3 octahedra, corners with six equivalent Na(2)O3F3 octahedra, edges with three equivalent Na(3)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 33-60°. O(1) is bonded in a 5-coordinate geometry to one Na(1), one Na(2), one Na(3), one Mg(1), and one Mo(1) atom. F(1) is bonded to one Na(1), one Na(2), one Na(3), one Mg(1), and one Mo(1) atom to form a mixture of distorted corner and edge-sharing FNa3MgMo trigonal bipyramids. is represented by the CIF card [CIF]
data_Na3MgMo(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.226
_cell_length_b   6.226
_cell_length_c   6.226
_cell_angle_alpha   53.951
_cell_angle_beta   53.951
_cell_angle_gamma   53.951
_symmetry_Int_Tables_number   1
_cell_volume   146.533
_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
  Na  Na0  1  0.762  0.762  0.762  1.0
  Na  Na1  1  0.492  0.492  0.492  1.0
  Na  Na2  1  0.322  0.322  0.322  1.0
  Mg  Mg3  1  0.147  0.147  0.147  1.0
  Mo  Mo4  1  0.983  0.983  0.983  1.0
  O  O5  1  0.317  0.768  0.087  1.0
  O  O6  1  0.087  0.317  0.768  1.0
  O  O7  1  0.768  0.087  0.317  1.0
  F  F8  1  0.551  0.166  0.947  1.0
  F  F9  1  0.166  0.947  0.551  1.0
  F  F10  1  0.947  0.551  0.166  1.0
[/CIF]
.