The structure described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(6), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(5)O3F3 octahedra, and  a faceface with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), one O(7), one F(3), and one F(5) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with three equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-62°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one F(1) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(5) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(5), one O(6), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar 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 planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form OMgMn3 trigonal pyramids that share  a cornercorner with one O(7)Mn4 trigonal pyramid and corners with two equivalent F(1)MgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom to form OMn4 trigonal pyramids that share  a cornercorner with one O(6)MgMn3 trigonal pyramid and corners with two equivalent F(1)MgMn3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted FMgMn3 trigonal pyramids that share corners with two equivalent O(6)MgMn3 trigonal pyramids and corners with two equivalent O(7)Mn4 trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.898
_cell_length_b   5.978
_cell_length_c   5.638
_cell_angle_alpha   69.017
_cell_angle_beta   70.570
_cell_angle_gamma   68.432
_symmetry_Int_Tables_number   1
_cell_volume   224.832
_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  0.496  0.523  0.963  1.0
  Mn  Mn1  1  0.844  0.698  0.704  1.0
  Mn  Mn2  1  0.676  0.338  0.369  1.0
  Mn  Mn3  1  0.235  0.691  0.532  1.0
  Mn  Mn4  1  0.139  0.312  0.339  1.0
  Mn  Mn5  1  0.500  0.997  0.995  1.0
  Mn  Mn6  1  0.997  0.981  0.047  1.0
  O  O7  1  0.654  0.043  0.649  1.0
  O  O8  1  0.946  0.205  0.260  1.0
  O  O9  1  0.024  0.784  0.807  1.0
  O  O10  1  0.401  0.448  0.364  1.0
  O  O11  1  0.330  0.970  0.333  1.0
  O  O12  1  0.673  0.648  0.046  1.0
  O  O13  1  0.019  0.690  0.361  1.0
  F  F14  1  0.336  0.367  0.913  1.0
  F  F15  1  0.315  0.858  0.904  1.0
  F  F16  1  0.666  0.561  0.610  1.0
  F  F17  1  0.675  0.163  0.070  1.0
  F  F18  1  0.017  0.283  0.743  1.0
[/CIF]
.
The structure described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(6), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, edges with two equivalent Mn(5)O3F3 octahedra, and  a faceface with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-62°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(6), one O(7), one F(3), and one F(5) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-58°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(6), one F(3), and one F(4) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with three equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 36-62°. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(5), one O(7), and one F(1) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(7), one F(1), and one F(5) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(5), one O(6), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 40-58°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-58°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar 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 planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form OMgMn3 trigonal pyramids that share  a cornercorner with one O(7)Mn4 trigonal pyramid and corners with two equivalent F(1)MgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(6) atom to form OMn4 trigonal pyramids that share  a cornercorner with one O(6)MgMn3 trigonal pyramid and corners with two equivalent F(1)MgMn3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted FMgMn3 trigonal pyramids that share corners with two equivalent O(6)MgMn3 trigonal pyramids and corners with two equivalent O(7)Mn4 trigonal pyramids. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.898
_cell_length_b   5.978
_cell_length_c   5.638
_cell_angle_alpha   69.017
_cell_angle_beta   70.570
_cell_angle_gamma   68.432
_symmetry_Int_Tables_number   1
_cell_volume   224.832
_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  0.496  0.523  0.963  1.0
  Mn  Mn1  1  0.844  0.698  0.704  1.0
  Mn  Mn2  1  0.676  0.338  0.369  1.0
  Mn  Mn3  1  0.235  0.691  0.532  1.0
  Mn  Mn4  1  0.139  0.312  0.339  1.0
  Mn  Mn5  1  0.500  0.997  0.995  1.0
  Mn  Mn6  1  0.997  0.981  0.047  1.0
  O  O7  1  0.654  0.043  0.649  1.0
  O  O8  1  0.946  0.205  0.260  1.0
  O  O9  1  0.024  0.784  0.807  1.0
  O  O10  1  0.401  0.448  0.364  1.0
  O  O11  1  0.330  0.970  0.333  1.0
  O  O12  1  0.673  0.648  0.046  1.0
  O  O13  1  0.019  0.690  0.361  1.0
  F  F14  1  0.336  0.367  0.913  1.0
  F  F15  1  0.315  0.858  0.904  1.0
  F  F16  1  0.666  0.561  0.610  1.0
  F  F17  1  0.675  0.163  0.070  1.0
  F  F18  1  0.017  0.283  0.743  1.0
[/CIF]
.