The material structure described by NaMnO3F4 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a distorted pentagonal planar geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent F(3), and two equivalent F(4) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one O(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Na(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.942
_cell_length_b   8.942
_cell_length_c   11.273
_cell_angle_alpha   75.760
_cell_angle_beta   75.760
_cell_angle_gamma   43.058
_symmetry_Int_Tables_number   1
_cell_volume   593.554
_cell_formula_units_Z   4
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  0.229  0.718  0.968  1.0
  Na  Na1  1  0.282  0.771  0.532  1.0
  Na  Na2  1  0.771  0.282  0.032  1.0
  Na  Na3  1  0.718  0.229  0.468  1.0
  Mn  Mn4  1  0.243  0.757  0.250  1.0
  Mn  Mn5  1  0.757  0.243  0.750  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.352  0.879  0.208  1.0
  O  O9  1  0.121  0.648  0.292  1.0
  O  O10  1  0.648  0.121  0.792  1.0
  O  O11  1  0.879  0.352  0.708  1.0
  O  O12  1  0.971  0.340  0.208  1.0
  O  O13  1  0.660  0.029  0.292  1.0
  O  O14  1  0.029  0.660  0.792  1.0
  O  O15  1  0.340  0.971  0.708  1.0
  O  O16  1  0.419  0.922  0.801  1.0
  O  O17  1  0.078  0.581  0.699  1.0
  O  O18  1  0.581  0.078  0.199  1.0
  O  O19  1  0.922  0.419  0.301  1.0
  F  F20  1  0.558  0.439  0.868  1.0
  F  F21  1  0.561  0.442  0.632  1.0
  F  F22  1  0.442  0.561  0.132  1.0
  F  F23  1  0.439  0.558  0.368  1.0
  F  F24  1  0.951  0.047  0.871  1.0
  F  F25  1  0.953  0.049  0.629  1.0
  F  F26  1  0.049  0.953  0.129  1.0
  F  F27  1  0.047  0.951  0.371  1.0
  F  F28  1  0.159  0.527  0.056  1.0
  F  F29  1  0.473  0.841  0.444  1.0
  F  F30  1  0.841  0.473  0.944  1.0
  F  F31  1  0.527  0.159  0.556  1.0
  F  F32  1  0.745  0.772  0.046  1.0
  F  F33  1  0.228  0.255  0.454  1.0
  F  F34  1  0.255  0.228  0.954  1.0
  F  F35  1  0.772  0.745  0.546  1.0
[/CIF]
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The material structure described by NaMnO3F4 crystallizes in the monoclinic C2/c space group. Na(1) is bonded in a distorted pentagonal planar geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted octahedral geometry to two equivalent O(2), two equivalent F(3), and two equivalent F(4) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(2) and one O(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(2) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Na(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Na(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a single-bond geometry to one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaMnO3F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.942
_cell_length_b   8.942
_cell_length_c   11.273
_cell_angle_alpha   75.760
_cell_angle_beta   75.760
_cell_angle_gamma   43.058
_symmetry_Int_Tables_number   1
_cell_volume   593.554
_cell_formula_units_Z   4
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  0.229  0.718  0.968  1.0
  Na  Na1  1  0.282  0.771  0.532  1.0
  Na  Na2  1  0.771  0.282  0.032  1.0
  Na  Na3  1  0.718  0.229  0.468  1.0
  Mn  Mn4  1  0.243  0.757  0.250  1.0
  Mn  Mn5  1  0.757  0.243  0.750  1.0
  Mn  Mn6  1  0.000  0.500  0.000  1.0
  Mn  Mn7  1  0.500  0.000  0.500  1.0
  O  O8  1  0.352  0.879  0.208  1.0
  O  O9  1  0.121  0.648  0.292  1.0
  O  O10  1  0.648  0.121  0.792  1.0
  O  O11  1  0.879  0.352  0.708  1.0
  O  O12  1  0.971  0.340  0.208  1.0
  O  O13  1  0.660  0.029  0.292  1.0
  O  O14  1  0.029  0.660  0.792  1.0
  O  O15  1  0.340  0.971  0.708  1.0
  O  O16  1  0.419  0.922  0.801  1.0
  O  O17  1  0.078  0.581  0.699  1.0
  O  O18  1  0.581  0.078  0.199  1.0
  O  O19  1  0.922  0.419  0.301  1.0
  F  F20  1  0.558  0.439  0.868  1.0
  F  F21  1  0.561  0.442  0.632  1.0
  F  F22  1  0.442  0.561  0.132  1.0
  F  F23  1  0.439  0.558  0.368  1.0
  F  F24  1  0.951  0.047  0.871  1.0
  F  F25  1  0.953  0.049  0.629  1.0
  F  F26  1  0.049  0.953  0.129  1.0
  F  F27  1  0.047  0.951  0.371  1.0
  F  F28  1  0.159  0.527  0.056  1.0
  F  F29  1  0.473  0.841  0.444  1.0
  F  F30  1  0.841  0.473  0.944  1.0
  F  F31  1  0.527  0.159  0.556  1.0
  F  F32  1  0.745  0.772  0.046  1.0
  F  F33  1  0.228  0.255  0.454  1.0
  F  F34  1  0.255  0.228  0.954  1.0
  F  F35  1  0.772  0.745  0.546  1.0
[/CIF]
.