The material described by Mg2NF crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to three equivalent N(1) and two equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. N(1) is bonded to six equivalent Mg(1) atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F(1) is bonded in a square co-planar geometry to four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2NF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.175
_cell_length_b   4.175
_cell_length_c   5.833
_cell_angle_alpha   110.970
_cell_angle_beta   110.970
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.666
_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
  Mg  Mg0  1  0.087  0.337  0.175  1.0
  Mg  Mg1  1  0.337  0.087  0.675  1.0
  Mg  Mg2  1  0.913  0.663  0.825  1.0
  Mg  Mg3  1  0.663  0.913  0.325  1.0
  N  N4  1  0.875  0.125  0.750  1.0
  N  N5  1  0.125  0.875  0.250  1.0
  F  F6  1  0.375  0.625  0.750  1.0
  F  F7  1  0.625  0.375  0.250  1.0
[/CIF]
.
The material described by Mg2NF crystallizes in the tetragonal I4_1/amd space group. Mg(1) is bonded to three equivalent N(1) and two equivalent F(1) atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. N(1) is bonded to six equivalent Mg(1) atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F(1) is bonded in a square co-planar geometry to four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_Mg2NF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.175
_cell_length_b   4.175
_cell_length_c   5.833
_cell_angle_alpha   110.970
_cell_angle_beta   110.970
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.666
_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
  Mg  Mg0  1  0.087  0.337  0.175  1.0
  Mg  Mg1  1  0.337  0.087  0.675  1.0
  Mg  Mg2  1  0.913  0.663  0.825  1.0
  Mg  Mg3  1  0.663  0.913  0.325  1.0
  N  N4  1  0.875  0.125  0.750  1.0
  N  N5  1  0.125  0.875  0.250  1.0
  F  F6  1  0.375  0.625  0.750  1.0
  F  F7  1  0.625  0.375  0.250  1.0
[/CIF]
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