The structure described by MgMn5O9F is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O5F octahedra,  a cornercorner with one Mn(5)O5F octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-18°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(9), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(7), one O(8), one O(9), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles are 18°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.215
_cell_length_c   7.921
_cell_angle_alpha   108.738
_cell_angle_beta   75.500
_cell_angle_gamma   79.197
_symmetry_Int_Tables_number   1
_cell_volume   193.559
_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  0.506  0.226  0.916  1.0
  Mn  Mn1  1  0.988  0.194  0.398  1.0
  Mn  Mn2  1  1.000  0.999  0.005  1.0
  Mn  Mn3  1  0.966  0.604  0.208  1.0
  Mn  Mn4  1  0.004  0.788  0.588  1.0
  Mn  Mn5  1  0.002  0.408  0.795  1.0
  O  O6  1  0.190  0.210  0.152  1.0
  O  O7  1  0.178  0.792  0.344  1.0
  O  O8  1  0.182  0.404  0.546  1.0
  O  O9  1  0.198  0.590  0.962  1.0
  O  O10  1  0.793  0.381  0.028  1.0
  O  O11  1  0.786  0.984  0.263  1.0
  O  O12  1  0.781  0.559  0.428  1.0
  O  O13  1  0.811  0.186  0.652  1.0
  O  O14  1  0.804  0.846  0.846  1.0
  F  F15  1  0.296  0.016  0.764  1.0
[/CIF]
.
The structure described by MgMn5O9F is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Mn(2)O5F octahedra,  a cornercorner with one Mn(4)O5F octahedra,  a cornercorner with one Mn(5)O5F octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(5)O5F octahedra. The corner-sharing octahedral tilt angles range from 4-18°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-17°. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(9), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(1)O6 octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(4)O5F octahedra,  an edgeedge with one Mn(5)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 18°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(7), one O(8), one O(9), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mn(5)O5F octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 4°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one O(5), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O5F octahedra, and edges with two equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles are 18°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the fourth O site, O(4) is bonded in a trigonal pyramidal geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn5O9F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.344
_cell_length_b   5.215
_cell_length_c   7.921
_cell_angle_alpha   108.738
_cell_angle_beta   75.500
_cell_angle_gamma   79.197
_symmetry_Int_Tables_number   1
_cell_volume   193.559
_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  0.506  0.226  0.916  1.0
  Mn  Mn1  1  0.988  0.194  0.398  1.0
  Mn  Mn2  1  1.000  0.999  0.005  1.0
  Mn  Mn3  1  0.966  0.604  0.208  1.0
  Mn  Mn4  1  0.004  0.788  0.588  1.0
  Mn  Mn5  1  0.002  0.408  0.795  1.0
  O  O6  1  0.190  0.210  0.152  1.0
  O  O7  1  0.178  0.792  0.344  1.0
  O  O8  1  0.182  0.404  0.546  1.0
  O  O9  1  0.198  0.590  0.962  1.0
  O  O10  1  0.793  0.381  0.028  1.0
  O  O11  1  0.786  0.984  0.263  1.0
  O  O12  1  0.781  0.559  0.428  1.0
  O  O13  1  0.811  0.186  0.652  1.0
  O  O14  1  0.804  0.846  0.846  1.0
  F  F15  1  0.296  0.016  0.764  1.0
[/CIF]
.