The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(8), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 pentagonal pyramid,  a cornercorner with one Mn(3)O4F square pyramid,  a cornercorner with one Mn(2)O5 square pyramid, edges with two equivalent Mn(6)O5F octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(4)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-54°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O3F3 pentagonal pyramids,  an edgeedge with one Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-73°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O3F3 pentagonal pyramids,  an edgeedge with one Mn(6)O5F octahedra, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-78°. In the fourth Mn site, Mn(4) 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 distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-66°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one F(1), one F(2), and one F(3) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-53°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one F(4) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O3F3 pentagonal pyramids, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F square pyramid, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 36-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-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 in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.084
_cell_length_b   5.721
_cell_length_c   5.991
_cell_angle_alpha   83.011
_cell_angle_beta   72.969
_cell_angle_gamma   74.758
_symmetry_Int_Tables_number   1
_cell_volume   223.731
_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  0.993  0.011  0.514  1.0
  Mn  Mn1  1  0.821  0.635  0.690  1.0
  Mn  Mn2  1  0.661  0.385  0.288  1.0
  Mn  Mn3  1  0.335  0.642  0.691  1.0
  Mn  Mn4  1  0.168  0.400  0.298  1.0
  Mn  Mn5  1  0.505  0.979  0.007  1.0
  Mn  Mn6  1  0.995  0.981  0.027  1.0
  O  O7  1  0.293  0.878  0.919  1.0
  O  O8  1  0.623  0.569  0.560  1.0
  O  O9  1  0.958  0.247  0.240  1.0
  O  O10  1  0.702  0.100  0.109  1.0
  O  O11  1  0.035  0.762  0.778  1.0
  O  O12  1  0.366  0.457  0.423  1.0
  O  O13  1  0.659  0.651  0.006  1.0
  O  O14  1  0.988  0.704  0.362  1.0
  F  F15  1  0.696  0.028  0.647  1.0
  F  F16  1  0.352  0.329  0.963  1.0
  F  F17  1  0.288  0.026  0.357  1.0
  F  F18  1  0.998  0.276  0.694  1.0
[/CIF]
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The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(5), one O(8), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(1)O4F2 octahedra, corners with two equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 pentagonal pyramid,  a cornercorner with one Mn(3)O4F square pyramid,  a cornercorner with one Mn(2)O5 square pyramid, edges with two equivalent Mn(6)O5F octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(4)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-54°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 pentagonal pyramid, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-54°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O3F3 pentagonal pyramids,  an edgeedge with one Mn(6)O5F octahedra, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-73°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O3F3 pentagonal pyramids,  an edgeedge with one Mn(6)O5F octahedra, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 38-78°. In the fourth Mn site, Mn(4) 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 distorted MnO3F3 pentagonal pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 31-66°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(7), one F(1), one F(2), and one F(3) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O5F octahedra, corners with two equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(2)O5 square pyramids,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O3F3 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 42-53°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one F(4) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O3F3 pentagonal pyramids, edges with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Mn(3)O4F square pyramid, and  an edgeedge with one Mn(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 36-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom to form corner-sharing OMgMn3 trigonal pyramids. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form corner-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 in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.084
_cell_length_b   5.721
_cell_length_c   5.991
_cell_angle_alpha   83.011
_cell_angle_beta   72.969
_cell_angle_gamma   74.758
_symmetry_Int_Tables_number   1
_cell_volume   223.731
_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  0.993  0.011  0.514  1.0
  Mn  Mn1  1  0.821  0.635  0.690  1.0
  Mn  Mn2  1  0.661  0.385  0.288  1.0
  Mn  Mn3  1  0.335  0.642  0.691  1.0
  Mn  Mn4  1  0.168  0.400  0.298  1.0
  Mn  Mn5  1  0.505  0.979  0.007  1.0
  Mn  Mn6  1  0.995  0.981  0.027  1.0
  O  O7  1  0.293  0.878  0.919  1.0
  O  O8  1  0.623  0.569  0.560  1.0
  O  O9  1  0.958  0.247  0.240  1.0
  O  O10  1  0.702  0.100  0.109  1.0
  O  O11  1  0.035  0.762  0.778  1.0
  O  O12  1  0.366  0.457  0.423  1.0
  O  O13  1  0.659  0.651  0.006  1.0
  O  O14  1  0.988  0.704  0.362  1.0
  F  F15  1  0.696  0.028  0.647  1.0
  F  F16  1  0.352  0.329  0.963  1.0
  F  F17  1  0.288  0.026  0.357  1.0
  F  F18  1  0.998  0.276  0.694  1.0
[/CIF]
.