The compound described by Na2MnPO5F2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), and four equivalent F(1) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with two equivalent Na(2)O4F2 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent F(1) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4F2 octahedra and  a cornercorner with one O(4)Na3O trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one P(1) and one O(4) atom. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Na(2), and one O(3) atom to form distorted ONa3O trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent F(1)Na3Mn tetrahedra, corners with two equivalent O(4)Na3O trigonal pyramids, and edges with two equivalent F(1)Na3Mn tetrahedra. F(1) is bonded to one Na(2), two equivalent Na(1), and one Mn(1) atom to form distorted FNa3Mn tetrahedra that share corners with six equivalent F(1)Na3Mn tetrahedra, corners with two equivalent O(4)Na3O trigonal pyramids,  an edgeedge with one F(1)Na3Mn tetrahedra, and  an edgeedge with one O(4)Na3O trigonal pyramid. is represented by the CIF card [CIF]
data_Na2MnPO5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.708
_cell_length_c   8.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.419
_symmetry_Int_Tables_number   1
_cell_volume   295.174
_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  0.994  0.456  0.750  1.0
  Na  Na1  1  0.006  0.544  0.250  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.518  0.899  0.750  1.0
  P  P7  1  0.482  0.101  0.250  1.0
  O  O8  1  0.411  0.788  0.908  1.0
  O  O9  1  0.589  0.211  0.092  1.0
  O  O10  1  0.589  0.211  0.408  1.0
  O  O11  1  0.411  0.788  0.592  1.0
  O  O12  1  0.799  0.007  0.750  1.0
  O  O13  1  0.201  0.993  0.250  1.0
  O  O14  1  0.380  0.103  0.750  1.0
  O  O15  1  0.620  0.897  0.250  1.0
  O  O16  1  0.527  0.303  0.750  1.0
  O  O17  1  0.473  0.697  0.250  1.0
  F  F18  1  0.894  0.687  0.998  1.0
  F  F19  1  0.106  0.313  0.002  1.0
  F  F20  1  0.106  0.313  0.498  1.0
  F  F21  1  0.894  0.687  0.502  1.0
[/CIF]
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The compound described by Na2MnPO5F2 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 8-coordinate geometry to one O(2), one O(4), two equivalent O(1), and four equivalent F(1) atoms. In the second Na site, Na(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form NaO4F2 octahedra that share corners with two equivalent Na(2)O4F2 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 69°. Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(2) and two equivalent F(1) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with two equivalent Na(2)O4F2 octahedra and  a cornercorner with one O(4)Na3O trigonal pyramid. The corner-sharing octahedral tilt angles are 58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Na(1), one Na(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Na(1), two equivalent Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one P(1) and one O(4) atom. In the fourth O site, O(4) is bonded to one Na(1), two equivalent Na(2), and one O(3) atom to form distorted ONa3O trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent F(1)Na3Mn tetrahedra, corners with two equivalent O(4)Na3O trigonal pyramids, and edges with two equivalent F(1)Na3Mn tetrahedra. F(1) is bonded to one Na(2), two equivalent Na(1), and one Mn(1) atom to form distorted FNa3Mn tetrahedra that share corners with six equivalent F(1)Na3Mn tetrahedra, corners with two equivalent O(4)Na3O trigonal pyramids,  an edgeedge with one F(1)Na3Mn tetrahedra, and  an edgeedge with one O(4)Na3O trigonal pyramid. is represented by the CIF card [CIF]
data_Na2MnPO5F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.761
_cell_length_b   6.708
_cell_length_c   8.051
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   108.419
_symmetry_Int_Tables_number   1
_cell_volume   295.174
_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  0.994  0.456  0.750  1.0
  Na  Na1  1  0.006  0.544  0.250  1.0
  Na  Na2  1  0.500  0.500  0.000  1.0
  Na  Na3  1  0.500  0.500  0.500  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.000  0.000  0.500  1.0
  P  P6  1  0.518  0.899  0.750  1.0
  P  P7  1  0.482  0.101  0.250  1.0
  O  O8  1  0.411  0.788  0.908  1.0
  O  O9  1  0.589  0.211  0.092  1.0
  O  O10  1  0.589  0.211  0.408  1.0
  O  O11  1  0.411  0.788  0.592  1.0
  O  O12  1  0.799  0.007  0.750  1.0
  O  O13  1  0.201  0.993  0.250  1.0
  O  O14  1  0.380  0.103  0.750  1.0
  O  O15  1  0.620  0.897  0.250  1.0
  O  O16  1  0.527  0.303  0.750  1.0
  O  O17  1  0.473  0.697  0.250  1.0
  F  F18  1  0.894  0.687  0.998  1.0
  F  F19  1  0.106  0.313  0.002  1.0
  F  F20  1  0.106  0.313  0.498  1.0
  F  F21  1  0.894  0.687  0.502  1.0
[/CIF]
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