The material structure described by Na2MnP2O7F3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(7), one F(2), and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one F(1), and two equivalent F(2) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent P(1)O3F tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one F(3) atom to form PO3F tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(2), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Na2MnP2O7F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.649
_cell_length_b   6.156
_cell_length_c   7.974
_cell_angle_alpha   105.075
_cell_angle_beta   97.143
_cell_angle_gamma   105.935
_symmetry_Int_Tables_number   1
_cell_volume   207.115
_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  0.849  0.116  0.338  1.0
  Na  Na1  1  0.249  0.829  0.927  1.0
  Mn  Mn2  1  0.555  0.480  0.154  1.0
  P  P3  1  0.916  0.244  0.879  1.0
  P  P4  1  0.196  0.714  0.440  1.0
  O  O5  1  0.213  0.456  0.972  1.0
  O  O6  1  0.669  0.235  0.995  1.0
  O  O7  1  0.445  0.721  0.324  1.0
  O  O8  1  0.297  0.669  0.613  1.0
  O  O9  1  0.892  0.508  0.337  1.0
  O  O10  1  0.946  0.005  0.810  1.0
  O  O11  1  0.165  0.963  0.482  1.0
  F  F12  1  0.319  0.228  0.217  1.0
  F  F13  1  0.786  0.733  0.091  1.0
  F  F14  1  0.790  0.326  0.721  1.0
[/CIF]
.
The material structure described by Na2MnP2O7F3 crystallizes in the triclinic P1 space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(7), one F(2), and two equivalent F(1) atoms. In the second Na site, Na(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one F(1), and two equivalent F(2) atoms. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent P(1)O3F tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(6), and one F(3) atom to form PO3F tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second P site, P(2) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(2), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(2), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Na(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Na(1), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Na(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Na(2), two equivalent Na(1), and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent Na(2), and one Mn(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_Na2MnP2O7F3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.649
_cell_length_b   6.156
_cell_length_c   7.974
_cell_angle_alpha   105.075
_cell_angle_beta   97.143
_cell_angle_gamma   105.935
_symmetry_Int_Tables_number   1
_cell_volume   207.115
_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  0.849  0.116  0.338  1.0
  Na  Na1  1  0.249  0.829  0.927  1.0
  Mn  Mn2  1  0.555  0.480  0.154  1.0
  P  P3  1  0.916  0.244  0.879  1.0
  P  P4  1  0.196  0.714  0.440  1.0
  O  O5  1  0.213  0.456  0.972  1.0
  O  O6  1  0.669  0.235  0.995  1.0
  O  O7  1  0.445  0.721  0.324  1.0
  O  O8  1  0.297  0.669  0.613  1.0
  O  O9  1  0.892  0.508  0.337  1.0
  O  O10  1  0.946  0.005  0.810  1.0
  O  O11  1  0.165  0.963  0.482  1.0
  F  F12  1  0.319  0.228  0.217  1.0
  F  F13  1  0.786  0.733  0.091  1.0
  F  F14  1  0.790  0.326  0.721  1.0
[/CIF]
.