The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(6), one O(7), one O(8), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(5), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5 square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(5)O4F square pyramids, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 46-60°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-61°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with three equivalent Mn(1)O5 square pyramids, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. There are ten 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 to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.233
_cell_length_b   5.747
_cell_length_c   5.863
_cell_angle_alpha   66.060
_cell_angle_beta   62.618
_cell_angle_gamma   64.145
_symmetry_Int_Tables_number   1
_cell_volume   214.257
_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  0.333  0.654  0.172  1.0
  Mn  Mn1  1  0.860  0.675  0.685  1.0
  Mn  Mn2  1  0.668  0.347  0.358  1.0
  Mn  Mn3  1  0.331  0.664  0.660  1.0
  Mn  Mn4  1  0.108  0.318  0.311  1.0
  Mn  Mn5  1  0.524  0.027  0.016  1.0
  Mn  Mn6  1  0.984  0.006  0.991  1.0
  O  O7  1  0.701  0.048  0.660  1.0
  O  O8  1  0.345  0.394  0.000  1.0
  O  O9  1  0.603  0.595  0.529  1.0
  O  O10  1  0.938  0.253  0.185  1.0
  O  O11  1  0.056  0.751  0.801  1.0
  O  O12  1  0.393  0.410  0.495  1.0
  O  O13  1  0.302  0.946  0.330  1.0
  O  O14  1  0.634  0.642  0.031  1.0
  O  O15  1  0.963  0.303  0.681  1.0
  O  O16  1  0.036  0.698  0.306  1.0
  F  F17  1  0.302  0.919  0.840  1.0
  F  F18  1  0.680  0.099  0.174  1.0
[/CIF]
.
The material structure described by MgMn6(O5F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(10), one O(2), one O(6), one O(7), one O(8), and one F(1) atom to form MgO5F octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O5F octahedra, edges with two equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(5), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(3)O5F octahedra, corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(2)O5F octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-59°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one F(2) atom to form MnO5F octahedra that share corners with two equivalent Mn(1)O5 square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  an edgeedge with one Mn(3)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO5F octahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(5)O4F square pyramids, corners with two equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O5F octahedra, and edges with two equivalent Mg(1)O5F octahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(2), one O(4), one O(7), and one O(9) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(2)O5F octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(5)O4F square pyramid, and  an edgeedge with one Mn(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 46-60°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(7), one O(8), and one F(2) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, corners with three equivalent Mn(2)O5F octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 36-61°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(4), one O(5), one O(9), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with three equivalent Mn(1)O5 square pyramids, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(2)O5F octahedra, and  an edgeedge with one Mn(3)O5F octahedra. There are ten 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 to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. In the tenth O site, O(10) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of edge and corner-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(O5F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.233
_cell_length_b   5.747
_cell_length_c   5.863
_cell_angle_alpha   66.060
_cell_angle_beta   62.618
_cell_angle_gamma   64.145
_symmetry_Int_Tables_number   1
_cell_volume   214.257
_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  0.333  0.654  0.172  1.0
  Mn  Mn1  1  0.860  0.675  0.685  1.0
  Mn  Mn2  1  0.668  0.347  0.358  1.0
  Mn  Mn3  1  0.331  0.664  0.660  1.0
  Mn  Mn4  1  0.108  0.318  0.311  1.0
  Mn  Mn5  1  0.524  0.027  0.016  1.0
  Mn  Mn6  1  0.984  0.006  0.991  1.0
  O  O7  1  0.701  0.048  0.660  1.0
  O  O8  1  0.345  0.394  0.000  1.0
  O  O9  1  0.603  0.595  0.529  1.0
  O  O10  1  0.938  0.253  0.185  1.0
  O  O11  1  0.056  0.751  0.801  1.0
  O  O12  1  0.393  0.410  0.495  1.0
  O  O13  1  0.302  0.946  0.330  1.0
  O  O14  1  0.634  0.642  0.031  1.0
  O  O15  1  0.963  0.303  0.681  1.0
  O  O16  1  0.036  0.698  0.306  1.0
  F  F17  1  0.302  0.919  0.840  1.0
  F  F18  1  0.680  0.099  0.174  1.0
[/CIF]
.