The material described by Mn2P2O7F2 crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O4F2 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. F(1) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_Mn2P2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.754
_cell_length_b   10.023
_cell_length_c   11.121
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.820
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.250  0.826  1.0
  Mn  Mn3  1  0.500  0.750  0.674  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.250  0.326  1.0
  Mn  Mn7  1  0.000  0.750  0.174  1.0
  P  P8  1  0.283  0.746  0.925  1.0
  P  P9  1  0.717  0.754  0.925  1.0
  P  P10  1  0.217  0.246  0.575  1.0
  P  P11  1  0.783  0.254  0.575  1.0
  P  P12  1  0.217  0.746  0.425  1.0
  P  P13  1  0.783  0.754  0.425  1.0
  P  P14  1  0.283  0.246  0.075  1.0
  P  P15  1  0.717  0.254  0.075  1.0
  O  O16  1  0.161  0.332  0.985  1.0
  O  O17  1  0.839  0.168  0.985  1.0
  O  O18  1  0.500  0.750  0.986  1.0
  O  O19  1  0.210  0.602  0.924  1.0
  O  O20  1  0.790  0.898  0.924  1.0
  O  O21  1  0.297  0.807  0.801  1.0
  O  O22  1  0.703  0.693  0.801  1.0
  O  O23  1  0.203  0.307  0.699  1.0
  O  O24  1  0.797  0.193  0.699  1.0
  O  O25  1  0.290  0.102  0.576  1.0
  O  O26  1  0.710  0.398  0.576  1.0
  O  O27  1  0.000  0.250  0.514  1.0
  O  O28  1  0.661  0.668  0.515  1.0
  O  O29  1  0.339  0.832  0.515  1.0
  O  O30  1  0.339  0.332  0.485  1.0
  O  O31  1  0.661  0.168  0.485  1.0
  O  O32  1  0.000  0.750  0.486  1.0
  O  O33  1  0.290  0.602  0.424  1.0
  O  O34  1  0.710  0.898  0.424  1.0
  O  O35  1  0.797  0.693  0.301  1.0
  O  O36  1  0.203  0.807  0.301  1.0
  O  O37  1  0.297  0.307  0.199  1.0
  O  O38  1  0.703  0.193  0.199  1.0
  O  O39  1  0.210  0.102  0.076  1.0
  O  O40  1  0.790  0.398  0.076  1.0
  O  O41  1  0.500  0.250  0.014  1.0
  O  O42  1  0.161  0.832  0.015  1.0
  O  O43  1  0.839  0.668  0.015  1.0
  F  F44  1  0.110  0.081  0.836  1.0
  F  F45  1  0.890  0.419  0.836  1.0
  F  F46  1  0.390  0.581  0.664  1.0
  F  F47  1  0.610  0.919  0.664  1.0
  F  F48  1  0.390  0.081  0.336  1.0
  F  F49  1  0.610  0.419  0.336  1.0
  F  F50  1  0.110  0.581  0.164  1.0
  F  F51  1  0.890  0.919  0.164  1.0
[/CIF]
.
The material described by Mn2P2O7F2 crystallizes in the orthorhombic Pbcn space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(2)O4F2 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent F(1) atoms to form distorted MnO4F2 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O4F2 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(1) atom. F(1) is bonded in a water-like geometry to one Mn(1) and one Mn(2) atom. is represented by the CIF card [CIF]
data_Mn2P2O7F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.754
_cell_length_b   10.023
_cell_length_c   11.121
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   752.820
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.500  0.000  1.0
  Mn  Mn2  1  0.000  0.250  0.826  1.0
  Mn  Mn3  1  0.500  0.750  0.674  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.500  0.250  0.326  1.0
  Mn  Mn7  1  0.000  0.750  0.174  1.0
  P  P8  1  0.283  0.746  0.925  1.0
  P  P9  1  0.717  0.754  0.925  1.0
  P  P10  1  0.217  0.246  0.575  1.0
  P  P11  1  0.783  0.254  0.575  1.0
  P  P12  1  0.217  0.746  0.425  1.0
  P  P13  1  0.783  0.754  0.425  1.0
  P  P14  1  0.283  0.246  0.075  1.0
  P  P15  1  0.717  0.254  0.075  1.0
  O  O16  1  0.161  0.332  0.985  1.0
  O  O17  1  0.839  0.168  0.985  1.0
  O  O18  1  0.500  0.750  0.986  1.0
  O  O19  1  0.210  0.602  0.924  1.0
  O  O20  1  0.790  0.898  0.924  1.0
  O  O21  1  0.297  0.807  0.801  1.0
  O  O22  1  0.703  0.693  0.801  1.0
  O  O23  1  0.203  0.307  0.699  1.0
  O  O24  1  0.797  0.193  0.699  1.0
  O  O25  1  0.290  0.102  0.576  1.0
  O  O26  1  0.710  0.398  0.576  1.0
  O  O27  1  0.000  0.250  0.514  1.0
  O  O28  1  0.661  0.668  0.515  1.0
  O  O29  1  0.339  0.832  0.515  1.0
  O  O30  1  0.339  0.332  0.485  1.0
  O  O31  1  0.661  0.168  0.485  1.0
  O  O32  1  0.000  0.750  0.486  1.0
  O  O33  1  0.290  0.602  0.424  1.0
  O  O34  1  0.710  0.898  0.424  1.0
  O  O35  1  0.797  0.693  0.301  1.0
  O  O36  1  0.203  0.807  0.301  1.0
  O  O37  1  0.297  0.307  0.199  1.0
  O  O38  1  0.703  0.193  0.199  1.0
  O  O39  1  0.210  0.102  0.076  1.0
  O  O40  1  0.790  0.398  0.076  1.0
  O  O41  1  0.500  0.250  0.014  1.0
  O  O42  1  0.161  0.832  0.015  1.0
  O  O43  1  0.839  0.668  0.015  1.0
  F  F44  1  0.110  0.081  0.836  1.0
  F  F45  1  0.890  0.419  0.836  1.0
  F  F46  1  0.390  0.581  0.664  1.0
  F  F47  1  0.610  0.919  0.664  1.0
  F  F48  1  0.390  0.081  0.336  1.0
  F  F49  1  0.610  0.419  0.336  1.0
  F  F50  1  0.110  0.581  0.164  1.0
  F  F51  1  0.890  0.919  0.164  1.0
[/CIF]
.