The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(2)O4F square pyramids,  a cornercorner with one Mn(3)O4F trigonal bipyramid, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(6), one O(7), one O(8), one F(1), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(2) atom to form MnO4F square pyramids that share  a cornercorner with one Mn(5)O4F2 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one O(6), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(5), one O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(2)O4F square pyramid, corners with three equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F square pyramids,  a cornercorner with one Mn(3)O4F trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form distorted OMgMn3 tetrahedra that share  a cornercorner with one F(1)MgMn3 trigonal pyramid and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to 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 to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(6)MgMn3 tetrahedra and  an edgeedge with one O(6)MgMn3 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Mn(4) and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(5), 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   5.227
_cell_length_b   7.561
_cell_length_c   5.874
_cell_angle_alpha   98.409
_cell_angle_beta   98.951
_cell_angle_gamma   85.254
_symmetry_Int_Tables_number   1
_cell_volume   226.429
_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  0.521  0.163  0.174  1.0
  Mn  Mn1  1  0.346  0.972  0.529  1.0
  Mn  Mn2  1  0.551  0.674  0.132  1.0
  Mn  Mn3  1  0.559  0.363  0.766  1.0
  Mn  Mn4  1  0.991  0.653  0.700  1.0
  Mn  Mn5  1  0.008  0.337  0.331  1.0
  Mn  Mn6  1  0.013  0.978  0.004  1.0
  O  O7  1  0.854  0.422  0.633  1.0
  O  O8  1  0.845  0.751  0.970  1.0
  O  O9  1  0.897  0.101  0.286  1.0
  O  O10  1  0.678  0.413  0.114  1.0
  O  O11  1  0.331  0.574  0.850  1.0
  O  O12  1  0.362  0.247  0.478  1.0
  O  O13  1  0.377  0.911  0.178  1.0
  O  O14  1  0.103  0.886  0.711  1.0
  F  F15  1  0.618  0.091  0.839  1.0
  F  F16  1  0.651  0.737  0.478  1.0
  F  F17  1  0.125  0.580  0.385  1.0
  F  F18  1  0.172  0.222  0.004  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(4), one O(6), one O(7), one F(1), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Mn(2)O4F square pyramids,  a cornercorner with one Mn(3)O4F trigonal bipyramid, edges with two equivalent Mn(5)O4F2 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(6), one O(7), one O(8), one F(1), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(5), one O(7), and one F(2) atom to form MnO4F square pyramids that share  a cornercorner with one Mn(5)O4F2 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-60°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(5), one O(6), and one F(1) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F square pyramid. The corner-sharing octahedral tilt angles range from 44-58°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(5), one O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(2)O4F square pyramids, corners with two equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(2)O4F square pyramid, corners with three equivalent Mn(3)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one O(8), one F(1), and one F(4) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F square pyramids,  a cornercorner with one Mn(3)O4F trigonal bipyramid,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted 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 distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form distorted OMgMn3 tetrahedra that share  a cornercorner with one F(1)MgMn3 trigonal pyramid and  an edgeedge with one F(1)MgMn3 trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to 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 to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(6)MgMn3 tetrahedra and  an edgeedge with one O(6)MgMn3 tetrahedra. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Mn(4) and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(5), 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   5.227
_cell_length_b   7.561
_cell_length_c   5.874
_cell_angle_alpha   98.409
_cell_angle_beta   98.951
_cell_angle_gamma   85.254
_symmetry_Int_Tables_number   1
_cell_volume   226.429
_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  0.521  0.163  0.174  1.0
  Mn  Mn1  1  0.346  0.972  0.529  1.0
  Mn  Mn2  1  0.551  0.674  0.132  1.0
  Mn  Mn3  1  0.559  0.363  0.766  1.0
  Mn  Mn4  1  0.991  0.653  0.700  1.0
  Mn  Mn5  1  0.008  0.337  0.331  1.0
  Mn  Mn6  1  0.013  0.978  0.004  1.0
  O  O7  1  0.854  0.422  0.633  1.0
  O  O8  1  0.845  0.751  0.970  1.0
  O  O9  1  0.897  0.101  0.286  1.0
  O  O10  1  0.678  0.413  0.114  1.0
  O  O11  1  0.331  0.574  0.850  1.0
  O  O12  1  0.362  0.247  0.478  1.0
  O  O13  1  0.377  0.911  0.178  1.0
  O  O14  1  0.103  0.886  0.711  1.0
  F  F15  1  0.618  0.091  0.839  1.0
  F  F16  1  0.651  0.737  0.478  1.0
  F  F17  1  0.125  0.580  0.385  1.0
  F  F18  1  0.172  0.222  0.004  1.0
[/CIF]
.