The structure described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(4)O3F3 octahedra, and faces with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-71°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one F(1), one F(2), and one F(3) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(5), one F(3), one F(4), and one F(5) atom to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   5.034
_cell_length_c   9.428
_cell_angle_alpha   87.034
_cell_angle_beta   91.107
_cell_angle_gamma   91.073
_symmetry_Int_Tables_number   1
_cell_volume   228.715
_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  0.009  0.460  0.004  1.0
  Mn  Mn1  1  0.967  0.954  0.001  1.0
  Mn  Mn2  1  0.985  0.977  0.341  1.0
  Mn  Mn3  1  0.064  0.037  0.665  1.0
  Mn  Mn4  1  0.489  0.551  0.826  1.0
  Mn  Mn5  1  0.555  0.467  0.193  1.0
  Mn  Mn6  1  0.491  0.557  0.506  1.0
  O  O7  1  0.181  0.814  0.501  1.0
  O  O8  1  0.148  0.760  0.858  1.0
  O  O9  1  0.338  0.360  0.672  1.0
  O  O10  1  0.672  0.676  0.003  1.0
  O  O11  1  0.676  0.723  0.342  1.0
  O  O12  1  0.851  0.172  0.153  1.0
  F  F13  1  0.164  0.690  0.157  1.0
  F  F14  1  0.316  0.230  0.994  1.0
  F  F15  1  0.296  0.258  0.336  1.0
  F  F16  1  0.685  0.787  0.675  1.0
  F  F17  1  0.797  0.258  0.502  1.0
  F  F18  1  0.830  0.255  0.846  1.0
[/CIF]
.
The structure described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(4)O3F3 octahedra, and faces with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-53°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(6) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(4)O3F3 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), one O(6), one F(1), one F(3), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O3F3 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-71°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one F(2), one F(4), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-71°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one F(1), one F(2), and one F(3) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(5), one F(3), one F(4), and one F(5) atom to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted edge and corner-sharing OMgMn3 trigonal pyramids. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.828
_cell_length_b   5.034
_cell_length_c   9.428
_cell_angle_alpha   87.034
_cell_angle_beta   91.107
_cell_angle_gamma   91.073
_symmetry_Int_Tables_number   1
_cell_volume   228.715
_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  0.009  0.460  0.004  1.0
  Mn  Mn1  1  0.967  0.954  0.001  1.0
  Mn  Mn2  1  0.985  0.977  0.341  1.0
  Mn  Mn3  1  0.064  0.037  0.665  1.0
  Mn  Mn4  1  0.489  0.551  0.826  1.0
  Mn  Mn5  1  0.555  0.467  0.193  1.0
  Mn  Mn6  1  0.491  0.557  0.506  1.0
  O  O7  1  0.181  0.814  0.501  1.0
  O  O8  1  0.148  0.760  0.858  1.0
  O  O9  1  0.338  0.360  0.672  1.0
  O  O10  1  0.672  0.676  0.003  1.0
  O  O11  1  0.676  0.723  0.342  1.0
  O  O12  1  0.851  0.172  0.153  1.0
  F  F13  1  0.164  0.690  0.157  1.0
  F  F14  1  0.316  0.230  0.994  1.0
  F  F15  1  0.296  0.258  0.336  1.0
  F  F16  1  0.685  0.787  0.675  1.0
  F  F17  1  0.797  0.258  0.502  1.0
  F  F18  1  0.830  0.255  0.846  1.0
[/CIF]
.