The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), one O(8), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 pentagonal pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  a faceface with one Mn(2)O4F2 octahedra, and  a faceface with one Mn(6)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), one F(2), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(6)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(7), one O(8), one F(1), one F(3), and one F(4) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. 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 T-shaped geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) 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 corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) 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 third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   5.775
_cell_length_c   5.959
_cell_angle_alpha   66.095
_cell_angle_beta   63.273
_cell_angle_gamma   64.946
_symmetry_Int_Tables_number   1
_cell_volume   225.679
_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  0.839  0.655  0.168  1.0
  Mn  Mn1  1  0.826  0.675  0.667  1.0
  Mn  Mn2  1  0.641  0.307  0.335  1.0
  Mn  Mn3  1  0.334  0.660  0.659  1.0
  Mn  Mn4  1  0.200  0.353  0.350  1.0
  Mn  Mn5  1  0.479  0.999  0.000  1.0
  Mn  Mn6  1  0.019  0.044  0.007  1.0
  O  O7  1  0.652  0.026  0.647  1.0
  O  O8  1  0.332  0.367  0.978  1.0
  O  O9  1  0.908  0.257  0.229  1.0
  O  O10  1  0.376  0.442  0.456  1.0
  O  O11  1  0.322  0.976  0.364  1.0
  O  O12  1  0.661  0.638  0.033  1.0
  O  O13  1  0.008  0.326  0.699  1.0
  O  O14  1  1.000  0.709  0.303  1.0
  F  F15  1  0.305  0.883  0.870  1.0
  F  F16  1  0.649  0.586  0.529  1.0
  F  F17  1  0.708  0.050  0.110  1.0
  F  F18  1  0.025  0.784  0.822  1.0
[/CIF]
.
The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(6), one O(8), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 pentagonal pyramid,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mn(1)O4F2 octahedra,  a faceface with one Mn(2)O4F2 octahedra, and  a faceface with one Mn(6)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(7), one O(8), one F(2), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mn(5)O4F2 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 34-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O5 square pyramid,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-56°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and  an edgeedge with one Mn(6)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 38-59°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-75°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), one F(1), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with three equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 pentagonal pyramids,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-56°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(7), one O(8), one F(1), one F(3), and one F(4) atom to form distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O5 square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 30-64°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. 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 T-shaped geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) 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 corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) 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 third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.407
_cell_length_b   5.775
_cell_length_c   5.959
_cell_angle_alpha   66.095
_cell_angle_beta   63.273
_cell_angle_gamma   64.946
_symmetry_Int_Tables_number   1
_cell_volume   225.679
_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  0.839  0.655  0.168  1.0
  Mn  Mn1  1  0.826  0.675  0.667  1.0
  Mn  Mn2  1  0.641  0.307  0.335  1.0
  Mn  Mn3  1  0.334  0.660  0.659  1.0
  Mn  Mn4  1  0.200  0.353  0.350  1.0
  Mn  Mn5  1  0.479  0.999  0.000  1.0
  Mn  Mn6  1  0.019  0.044  0.007  1.0
  O  O7  1  0.652  0.026  0.647  1.0
  O  O8  1  0.332  0.367  0.978  1.0
  O  O9  1  0.908  0.257  0.229  1.0
  O  O10  1  0.376  0.442  0.456  1.0
  O  O11  1  0.322  0.976  0.364  1.0
  O  O12  1  0.661  0.638  0.033  1.0
  O  O13  1  0.008  0.326  0.699  1.0
  O  O14  1  1.000  0.709  0.303  1.0
  F  F15  1  0.305  0.883  0.870  1.0
  F  F16  1  0.649  0.586  0.529  1.0
  F  F17  1  0.708  0.050  0.110  1.0
  F  F18  1  0.025  0.784  0.822  1.0
[/CIF]
.