The compound described by (MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure consists of two ammonia atoms inside a MnF3 framework. In the MnF3 framework, Mn(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the third F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the fourth F site, F(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.695
_cell_length_c   3.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.335
_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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  N  N2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.765  0.265  0.000  1.0
  F  F5  1  0.735  0.765  0.000  1.0
  F  F6  1  0.235  0.735  0.000  1.0
  F  F7  1  0.265  0.235  0.000  1.0
  F  F8  1  0.000  0.500  0.500  1.0
  F  F9  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by (MnF3)2N2 is High-temperature superconductor-derived structured and crystallizes in the tetragonal P4/mbm space group. The structure consists of two ammonia atoms inside a MnF3 framework. In the MnF3 framework, Mn(1) is bonded to two equivalent F(2) and four F(1,1,1) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedra are not tilted. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the third F site, F(1) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the fourth F site, F(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnNF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.695
_cell_length_b   5.695
_cell_length_c   3.957
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   128.335
_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
  Mn  Mn0  1  0.000  0.500  0.000  1.0
  Mn  Mn1  1  0.500  0.000  0.000  1.0
  N  N2  1  0.000  0.000  0.500  1.0
  N  N3  1  0.500  0.500  0.500  1.0
  F  F4  1  0.765  0.265  0.000  1.0
  F  F5  1  0.735  0.765  0.000  1.0
  F  F6  1  0.235  0.735  0.000  1.0
  F  F7  1  0.265  0.235  0.000  1.0
  F  F8  1  0.000  0.500  0.500  1.0
  F  F9  1  0.500  0.000  0.500  1.0
[/CIF]
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