The crystal structure described by MgMn2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(7), one O(8), and one F(2) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the second P site, P(2) 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 Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MgMn2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.473
_cell_length_c   7.318
_cell_angle_alpha   106.119
_cell_angle_beta   107.583
_cell_angle_gamma   97.491
_symmetry_Int_Tables_number   1
_cell_volume   186.601
_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
  Mg  Mg0  1  0.990  0.331  0.711  1.0
  Mn  Mn1  1  0.010  0.013  0.018  1.0
  Mn  Mn2  1  0.485  0.505  0.490  1.0
  P  P3  1  0.431  0.103  0.754  1.0
  P  P4  1  0.584  0.895  0.255  1.0
  O  O5  1  0.267  0.837  0.143  1.0
  O  O6  1  0.719  0.873  0.093  1.0
  O  O7  1  0.695  0.163  0.429  1.0
  O  O8  1  0.644  0.671  0.342  1.0
  O  O9  1  0.262  0.165  0.900  1.0
  O  O10  1  0.341  0.819  0.622  1.0
  O  O11  1  0.338  0.300  0.638  1.0
  O  O12  1  0.752  0.193  0.861  1.0
  F  F13  1  0.148  0.351  0.267  1.0
  F  F14  1  0.852  0.643  0.729  1.0
[/CIF]
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The crystal structure described by MgMn2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(7), one O(8), and one F(2) atom to form distorted MgO4F trigonal bipyramids that share  a cornercorner with one Mn(1)O4F2 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-56°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra,  a cornercorner with one Mg(1)O4F trigonal bipyramid, and  an edgeedge with one Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the second P site, P(2) 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 Mg(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 32-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MgMn2P2(O4F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.232
_cell_length_b   5.473
_cell_length_c   7.318
_cell_angle_alpha   106.119
_cell_angle_beta   107.583
_cell_angle_gamma   97.491
_symmetry_Int_Tables_number   1
_cell_volume   186.601
_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
  Mg  Mg0  1  0.990  0.331  0.711  1.0
  Mn  Mn1  1  0.010  0.013  0.018  1.0
  Mn  Mn2  1  0.485  0.505  0.490  1.0
  P  P3  1  0.431  0.103  0.754  1.0
  P  P4  1  0.584  0.895  0.255  1.0
  O  O5  1  0.267  0.837  0.143  1.0
  O  O6  1  0.719  0.873  0.093  1.0
  O  O7  1  0.695  0.163  0.429  1.0
  O  O8  1  0.644  0.671  0.342  1.0
  O  O9  1  0.262  0.165  0.900  1.0
  O  O10  1  0.341  0.819  0.622  1.0
  O  O11  1  0.338  0.300  0.638  1.0
  O  O12  1  0.752  0.193  0.861  1.0
  F  F13  1  0.148  0.351  0.267  1.0
  F  F14  1  0.852  0.643  0.729  1.0
[/CIF]
.