The material 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 corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)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(3), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with three equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O6 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)O6 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(2)O6 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 44-59°. 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 corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(2)O6 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 corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted 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(2), one Mn(5), 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 corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(3) 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   8.121
_cell_length_b   5.718
_cell_length_c   5.898
_cell_angle_alpha   66.907
_cell_angle_beta   63.211
_cell_angle_gamma   65.282
_symmetry_Int_Tables_number   1
_cell_volume   214.946
_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  0.327  0.666  0.179  1.0
  Mn  Mn1  1  0.809  0.668  0.657  1.0
  Mn  Mn2  1  0.670  0.336  0.349  1.0
  Mn  Mn3  1  0.347  0.658  0.659  1.0
  Mn  Mn4  1  0.118  0.306  0.316  1.0
  Mn  Mn5  1  0.541  0.033  0.022  1.0
  Mn  Mn6  1  0.975  0.022  0.003  1.0
  O  O7  1  0.695  0.043  0.652  1.0
  O  O8  1  0.350  0.394  0.005  1.0
  O  O9  1  0.615  0.587  0.538  1.0
  O  O10  1  0.946  0.252  0.188  1.0
  O  O11  1  0.707  0.098  0.155  1.0
  O  O12  1  0.393  0.413  0.490  1.0
  O  O13  1  0.314  0.948  0.337  1.0
  O  O14  1  0.628  0.648  0.030  1.0
  O  O15  1  0.966  0.298  0.688  1.0
  O  O16  1  0.022  0.699  0.303  1.0
  F  F17  1  0.278  0.928  0.859  1.0
  F  F18  1  0.056  0.753  0.798  1.0
[/CIF]
.
The material 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 corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)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(3), one O(8), and one O(9) atom to form distorted MnO5 square pyramids that share  a cornercorner with one Mn(3)O4F2 octahedra, corners with two equivalent Mg(1)O5F octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O5 trigonal bipyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-61°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with three equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), one O(7), one F(1), and one F(2) atom to form MnO4F2 octahedra that share  a cornercorner with one Mn(1)O5 square pyramid, corners with two equivalent Mn(4)O5 trigonal bipyramids, corners with two equivalent Mn(5)O5 trigonal bipyramids,  an edgeedge with one Mn(6)O4F2 octahedra,  an edgeedge with one Mn(2)O6 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)O6 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(1)O5 square pyramid, and  an edgeedge with one Mn(5)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-58°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(7), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mg(1)O5F octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with three equivalent Mn(2)O6 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 44-59°. 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 corners with two equivalent Mn(1)O5 square pyramids,  a cornercorner with one Mn(5)O5 trigonal bipyramid, corners with three equivalent Mn(4)O5 trigonal bipyramids,  an edgeedge with one Mg(1)O5F octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(2)O6 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 corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted 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(2), one Mn(5), 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 corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. 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 distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(3), and one Mn(6) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(3) 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   8.121
_cell_length_b   5.718
_cell_length_c   5.898
_cell_angle_alpha   66.907
_cell_angle_beta   63.211
_cell_angle_gamma   65.282
_symmetry_Int_Tables_number   1
_cell_volume   214.946
_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  0.327  0.666  0.179  1.0
  Mn  Mn1  1  0.809  0.668  0.657  1.0
  Mn  Mn2  1  0.670  0.336  0.349  1.0
  Mn  Mn3  1  0.347  0.658  0.659  1.0
  Mn  Mn4  1  0.118  0.306  0.316  1.0
  Mn  Mn5  1  0.541  0.033  0.022  1.0
  Mn  Mn6  1  0.975  0.022  0.003  1.0
  O  O7  1  0.695  0.043  0.652  1.0
  O  O8  1  0.350  0.394  0.005  1.0
  O  O9  1  0.615  0.587  0.538  1.0
  O  O10  1  0.946  0.252  0.188  1.0
  O  O11  1  0.707  0.098  0.155  1.0
  O  O12  1  0.393  0.413  0.490  1.0
  O  O13  1  0.314  0.948  0.337  1.0
  O  O14  1  0.628  0.648  0.030  1.0
  O  O15  1  0.966  0.298  0.688  1.0
  O  O16  1  0.022  0.699  0.303  1.0
  F  F17  1  0.278  0.928  0.859  1.0
  F  F18  1  0.056  0.753  0.798  1.0
[/CIF]
.