The crystal structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, edges with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and one F(2) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(5)O5F octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(4), one O(6), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5F octahedra,  an edgeedge with one Mn(6)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-59°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.527
_cell_length_c   5.742
_cell_angle_alpha   98.278
_cell_angle_beta   99.526
_cell_angle_gamma   84.262
_symmetry_Int_Tables_number   1
_cell_volume   214.543
_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  0.487  0.837  0.826  1.0
  Mn  Mn1  1  0.561  0.021  0.449  1.0
  Mn  Mn2  1  0.470  0.643  0.204  1.0
  Mn  Mn3  1  0.507  0.330  0.827  1.0
  Mn  Mn4  1  0.993  0.652  0.668  1.0
  Mn  Mn5  1  0.001  0.320  0.329  1.0
  Mn  Mn6  1  0.006  0.008  0.999  1.0
  O  O7  1  0.869  0.421  0.612  1.0
  O  O8  1  0.865  0.095  0.289  1.0
  O  O9  1  0.658  0.077  0.805  1.0
  O  O10  1  0.641  0.760  0.509  1.0
  O  O11  1  0.678  0.419  0.143  1.0
  O  O12  1  0.348  0.581  0.858  1.0
  O  O13  1  0.348  0.246  0.504  1.0
  O  O14  1  0.353  0.900  0.160  1.0
  O  O15  1  0.141  0.226  0.036  1.0
  O  O16  1  0.113  0.893  0.711  1.0
  F  F17  1  0.838  0.770  0.004  1.0
  F  F18  1  0.151  0.560  0.339  1.0
[/CIF]
.
The crystal structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, edges with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-49°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(4)O4F2 octahedra, corners with two equivalent Mn(5)O5F octahedra, corners with three equivalent Mn(6)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(6), one O(8), and one F(2) atom. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(5)O5F octahedra, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(4), one O(6), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(5)O5F octahedra,  an edgeedge with one Mn(6)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), one O(9), and one F(2) atom to form MnO5F octahedra that share corners with four equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(2), one O(3), one O(8), one O(9), and one F(1) atom to form MnO5F octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(1)O5 trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-59°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(4), and one Mn(6) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.102
_cell_length_b   7.527
_cell_length_c   5.742
_cell_angle_alpha   98.278
_cell_angle_beta   99.526
_cell_angle_gamma   84.262
_symmetry_Int_Tables_number   1
_cell_volume   214.543
_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  0.487  0.837  0.826  1.0
  Mn  Mn1  1  0.561  0.021  0.449  1.0
  Mn  Mn2  1  0.470  0.643  0.204  1.0
  Mn  Mn3  1  0.507  0.330  0.827  1.0
  Mn  Mn4  1  0.993  0.652  0.668  1.0
  Mn  Mn5  1  0.001  0.320  0.329  1.0
  Mn  Mn6  1  0.006  0.008  0.999  1.0
  O  O7  1  0.869  0.421  0.612  1.0
  O  O8  1  0.865  0.095  0.289  1.0
  O  O9  1  0.658  0.077  0.805  1.0
  O  O10  1  0.641  0.760  0.509  1.0
  O  O11  1  0.678  0.419  0.143  1.0
  O  O12  1  0.348  0.581  0.858  1.0
  O  O13  1  0.348  0.246  0.504  1.0
  O  O14  1  0.353  0.900  0.160  1.0
  O  O15  1  0.141  0.226  0.036  1.0
  O  O16  1  0.113  0.893  0.711  1.0
  F  F17  1  0.838  0.770  0.004  1.0
  F  F18  1  0.151  0.560  0.339  1.0
[/CIF]
.