The material structure described by NaMnF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_NaMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.890
_cell_length_b   5.689
_cell_length_c   5.767
_cell_angle_alpha   71.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.862
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Na  Na1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.154  0.310  0.887  1.0
  F  F5  1  0.654  0.690  0.613  1.0
  F  F6  1  0.846  0.690  0.113  1.0
  F  F7  1  0.346  0.310  0.387  1.0
  F  F8  1  0.231  0.878  0.334  1.0
  F  F9  1  0.731  0.122  0.166  1.0
  F  F10  1  0.769  0.122  0.666  1.0
  F  F11  1  0.269  0.878  0.834  1.0
[/CIF]
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The material structure described by NaMnF4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form NaF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 45-65°. Mn(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form MnF6 octahedra that share corners with four equivalent Na(1)F6 octahedra, corners with four equivalent Mn(1)F6 octahedra, and edges with two equivalent Na(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted trigonal planar geometry to one Na(1) and two equivalent Mn(1) atoms. In the second F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_NaMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.890
_cell_length_b   5.689
_cell_length_c   5.767
_cell_angle_alpha   71.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   151.862
_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
  Na  Na0  1  0.500  0.500  0.000  1.0
  Na  Na1  1  0.000  0.500  0.500  1.0
  Mn  Mn2  1  0.500  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.154  0.310  0.887  1.0
  F  F5  1  0.654  0.690  0.613  1.0
  F  F6  1  0.846  0.690  0.113  1.0
  F  F7  1  0.346  0.310  0.387  1.0
  F  F8  1  0.231  0.878  0.334  1.0
  F  F9  1  0.731  0.122  0.166  1.0
  F  F10  1  0.769  0.122  0.666  1.0
  F  F11  1  0.269  0.878  0.834  1.0
[/CIF]
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