The crystal structure described by MgMn6(O5F)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), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-51°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O5F octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O5F octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one F(2) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(5), one O(7), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)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 55-60°. 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(2)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(4)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), 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 in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a 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(1), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 trigonal non-coplanar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(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(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(4), and one Mn(5) 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   5.068
_cell_length_b   7.553
_cell_length_c   5.659
_cell_angle_alpha   98.053
_cell_angle_beta   98.140
_cell_angle_gamma   84.068
_symmetry_Int_Tables_number   1
_cell_volume   211.525
_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  0.490  0.162  0.158  1.0
  Mn  Mn1  1  0.447  0.970  0.547  1.0
  Mn  Mn2  1  0.515  0.666  0.153  1.0
  Mn  Mn3  1  0.562  0.352  0.779  1.0
  Mn  Mn4  1  0.997  0.666  0.673  1.0
  Mn  Mn5  1  0.005  0.337  0.327  1.0
  Mn  Mn6  1  0.997  0.984  0.992  1.0
  O  O7  1  0.867  0.434  0.621  1.0
  O  O8  1  0.857  0.756  0.957  1.0
  O  O9  1  0.650  0.089  0.838  1.0
  O  O10  1  0.672  0.753  0.479  1.0
  O  O11  1  0.655  0.410  0.133  1.0
  O  O12  1  0.344  0.577  0.836  1.0
  O  O13  1  0.358  0.231  0.491  1.0
  O  O14  1  0.338  0.913  0.192  1.0
  O  O15  1  0.118  0.219  0.031  1.0
  O  O16  1  0.139  0.900  0.710  1.0
  F  F17  1  0.842  0.070  0.303  1.0
  F  F18  1  0.161  0.591  0.368  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(3), one O(5), one O(7), one O(8), one O(9), and one F(1) atom to form MgO5F octahedra that share corners with two equivalent Mn(2)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 45-51°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(10), one O(3), one O(4), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with four equivalent Mn(4)O5F octahedra, and  an edgeedge with one Mn(3)O5 square pyramid. The corner-sharing octahedral tilt angles range from 39-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O5F octahedra, corners with two equivalent Mn(4)O5F octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra, and  an edgeedge with one Mn(2)O5F octahedra. The corner-sharing octahedral tilt angles range from 49-56°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one F(2) atom to form MnO5F octahedra that share corners with four equivalent Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(6)O5F octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(5), one O(7), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(3)O5 square pyramids,  an edgeedge with one Mn(4)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 55-60°. 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(2)O5F octahedra,  a cornercorner with one Mn(3)O5 square pyramid,  an edgeedge with one Mn(5)O4F2 octahedra,  an edgeedge with one Mn(4)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 51-58°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), 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 in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a 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(1), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 trigonal non-coplanar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(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(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(4), and one Mn(5) 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   5.068
_cell_length_b   7.553
_cell_length_c   5.659
_cell_angle_alpha   98.053
_cell_angle_beta   98.140
_cell_angle_gamma   84.068
_symmetry_Int_Tables_number   1
_cell_volume   211.525
_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  0.490  0.162  0.158  1.0
  Mn  Mn1  1  0.447  0.970  0.547  1.0
  Mn  Mn2  1  0.515  0.666  0.153  1.0
  Mn  Mn3  1  0.562  0.352  0.779  1.0
  Mn  Mn4  1  0.997  0.666  0.673  1.0
  Mn  Mn5  1  0.005  0.337  0.327  1.0
  Mn  Mn6  1  0.997  0.984  0.992  1.0
  O  O7  1  0.867  0.434  0.621  1.0
  O  O8  1  0.857  0.756  0.957  1.0
  O  O9  1  0.650  0.089  0.838  1.0
  O  O10  1  0.672  0.753  0.479  1.0
  O  O11  1  0.655  0.410  0.133  1.0
  O  O12  1  0.344  0.577  0.836  1.0
  O  O13  1  0.358  0.231  0.491  1.0
  O  O14  1  0.338  0.913  0.192  1.0
  O  O15  1  0.118  0.219  0.031  1.0
  O  O16  1  0.139  0.900  0.710  1.0
  F  F17  1  0.842  0.070  0.303  1.0
  F  F18  1  0.161  0.591  0.368  1.0
[/CIF]
.