The structure described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one F(2), one F(5), one F(7), and one F(8) atom to form distorted MgOF4 square pyramids that share  a cornercorner with one Mn(5)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-60°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(2), and one F(8) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid,  a cornercorner with one Mg(1)OF4 square pyramid,  an edgeedge with one Mn(4)O3F4 pentagonal bipyramid, and  an edgeedge with one Mg(1)OF4 square pyramid. The corner-sharing octahedral tilt angles are 63°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(5), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(5)OF5 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid, corners with two equivalent Mg(1)OF4 square pyramids,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid, edges with two equivalent Mn(5)OF5 octahedra, and  an edgeedge with one Mn(4)O3F4 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), one F(6), and one F(8) atom to form distorted MnO3F4 pentagonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mg(1)OF4 square pyramid,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(5)OF5 octahedra, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the fifth Mn site, Mn(5) is bonded to one O(3), one F(1), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mg(1)OF4 square pyramid, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O3F4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(6) atom to form distorted edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a 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 card [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.428
_cell_length_b   8.300
_cell_length_c   5.579
_cell_angle_alpha   89.197
_cell_angle_beta   78.847
_cell_angle_gamma   93.681
_symmetry_Int_Tables_number   1
_cell_volume   246.012
_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  0.214  0.083  0.422  1.0
  Mn  Mn1  1  0.577  0.932  0.665  1.0
  Mn  Mn2  1  0.530  0.693  0.172  1.0
  Mn  Mn3  1  0.504  0.329  0.827  1.0
  Mn  Mn4  1  0.910  0.639  0.649  1.0
  Mn  Mn5  1  0.945  0.407  0.142  1.0
  Mn  Mn6  1  0.020  0.001  0.974  1.0
  O  O7  1  0.746  0.828  0.924  1.0
  O  O8  1  0.668  0.742  0.451  1.0
  O  O9  1  0.667  0.507  0.974  1.0
  O  O10  1  0.355  0.134  0.712  1.0
  F  F11  1  0.748  0.399  0.506  1.0
  F  F12  1  0.867  0.068  0.390  1.0
  F  F13  1  0.799  0.199  0.936  1.0
  F  F14  1  0.200  0.475  0.807  1.0
  F  F15  1  0.300  0.929  0.158  1.0
  F  F16  1  0.176  0.590  0.305  1.0
  F  F17  1  0.261  0.263  0.179  1.0
  F  F18  1  0.179  0.859  0.631  1.0
[/CIF]
.
The structure described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one F(2), one F(5), one F(7), and one F(8) atom to form distorted MgOF4 square pyramids that share  a cornercorner with one Mn(5)OF5 octahedra, corners with two equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-60°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(2), and one F(8) atom to form distorted MnO3F2 trigonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid,  a cornercorner with one Mg(1)OF4 square pyramid,  an edgeedge with one Mn(4)O3F4 pentagonal bipyramid, and  an edgeedge with one Mg(1)OF4 square pyramid. The corner-sharing octahedral tilt angles are 63°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(5), and one F(6) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(5)OF5 octahedra,  a cornercorner with one Mn(4)O3F4 pentagonal bipyramid, corners with two equivalent Mg(1)OF4 square pyramids,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid, edges with two equivalent Mn(5)OF5 octahedra, and  an edgeedge with one Mn(4)O3F4 pentagonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), one F(6), and one F(8) atom to form distorted MnO3F4 pentagonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mg(1)OF4 square pyramid,  a cornercorner with one Mn(1)O3F2 trigonal bipyramid,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(5)OF5 octahedra, and  an edgeedge with one Mn(1)O3F2 trigonal bipyramid. The corner-sharing octahedral tilt angles are 18°. In the fifth Mn site, Mn(5) is bonded to one O(3), one F(1), one F(3), one F(4), one F(6), and one F(7) atom to form MnOF5 octahedra that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mg(1)OF4 square pyramid, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O3F4 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 18°. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(1), one O(4), one F(2), one F(3), one F(5), and one F(8) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(6) atom to form distorted edge-sharing OMn4 tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(5) atom to form edge-sharing OMn4 tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a 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 card [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.428
_cell_length_b   8.300
_cell_length_c   5.579
_cell_angle_alpha   89.197
_cell_angle_beta   78.847
_cell_angle_gamma   93.681
_symmetry_Int_Tables_number   1
_cell_volume   246.012
_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  0.214  0.083  0.422  1.0
  Mn  Mn1  1  0.577  0.932  0.665  1.0
  Mn  Mn2  1  0.530  0.693  0.172  1.0
  Mn  Mn3  1  0.504  0.329  0.827  1.0
  Mn  Mn4  1  0.910  0.639  0.649  1.0
  Mn  Mn5  1  0.945  0.407  0.142  1.0
  Mn  Mn6  1  0.020  0.001  0.974  1.0
  O  O7  1  0.746  0.828  0.924  1.0
  O  O8  1  0.668  0.742  0.451  1.0
  O  O9  1  0.667  0.507  0.974  1.0
  O  O10  1  0.355  0.134  0.712  1.0
  F  F11  1  0.748  0.399  0.506  1.0
  F  F12  1  0.867  0.068  0.390  1.0
  F  F13  1  0.799  0.199  0.936  1.0
  F  F14  1  0.200  0.475  0.807  1.0
  F  F15  1  0.300  0.929  0.158  1.0
  F  F16  1  0.176  0.590  0.305  1.0
  F  F17  1  0.261  0.263  0.179  1.0
  F  F18  1  0.179  0.859  0.631  1.0
[/CIF]
.