The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, edges with two equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 47-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Mn(1)O5 square pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, corners with three equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.173
_cell_length_b   5.712
_cell_length_c   5.818
_cell_angle_alpha   67.133
_cell_angle_beta   63.610
_cell_angle_gamma   64.814
_symmetry_Int_Tables_number   1
_cell_volume   213.408
_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  0.996  0.521  1.0
  Mn  Mn1  1  0.784  0.634  0.671  1.0
  Mn  Mn2  1  0.645  0.339  0.351  1.0
  Mn  Mn3  1  0.334  0.654  0.693  1.0
  Mn  Mn4  1  0.194  0.360  0.373  1.0
  Mn  Mn5  1  0.489  0.996  0.022  1.0
  Mn  Mn6  1  0.989  0.996  0.021  1.0
  O  O7  1  0.687  0.019  0.665  1.0
  O  O8  1  0.358  0.374  0.006  1.0
  O  O9  1  0.609  0.571  0.538  1.0
  O  O10  1  0.915  0.251  0.211  1.0
  O  O11  1  0.063  0.742  0.832  1.0
  O  O12  1  0.370  0.421  0.506  1.0
  O  O13  1  0.292  0.974  0.380  1.0
  O  O14  1  0.620  0.619  0.039  1.0
  O  O15  1  0.968  0.276  0.686  1.0
  O  O16  1  0.010  0.716  0.357  1.0
  F  F17  1  0.303  0.913  0.871  1.0
  F  F18  1  0.675  0.079  0.174  1.0
[/CIF]
.
The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(10), one O(4), one O(5), one O(7), and one O(9) atom to form MgO6 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O5 square pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, edges with two equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 47-48°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O5 square pyramid, corners with three equivalent Mn(1)O5 square pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, corners with three equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 42-58°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(6), one O(7), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O6 octahedra,  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(7), one O(8), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 42-58°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(1)O5 square pyramids, corners with two equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(2)O5F octahedra,  an edgeedge with one Mn(3)O5F octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.173
_cell_length_b   5.712
_cell_length_c   5.818
_cell_angle_alpha   67.133
_cell_angle_beta   63.610
_cell_angle_gamma   64.814
_symmetry_Int_Tables_number   1
_cell_volume   213.408
_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  0.996  0.521  1.0
  Mn  Mn1  1  0.784  0.634  0.671  1.0
  Mn  Mn2  1  0.645  0.339  0.351  1.0
  Mn  Mn3  1  0.334  0.654  0.693  1.0
  Mn  Mn4  1  0.194  0.360  0.373  1.0
  Mn  Mn5  1  0.489  0.996  0.022  1.0
  Mn  Mn6  1  0.989  0.996  0.021  1.0
  O  O7  1  0.687  0.019  0.665  1.0
  O  O8  1  0.358  0.374  0.006  1.0
  O  O9  1  0.609  0.571  0.538  1.0
  O  O10  1  0.915  0.251  0.211  1.0
  O  O11  1  0.063  0.742  0.832  1.0
  O  O12  1  0.370  0.421  0.506  1.0
  O  O13  1  0.292  0.974  0.380  1.0
  O  O14  1  0.620  0.619  0.039  1.0
  O  O15  1  0.968  0.276  0.686  1.0
  O  O16  1  0.010  0.716  0.357  1.0
  F  F17  1  0.303  0.913  0.871  1.0
  F  F18  1  0.675  0.079  0.174  1.0
[/CIF]
.