The structure described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(4)O2F4 pentagonal pyramid, edges with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Mn(3)O4F2 octahedra, and  a faceface with one Mn(4)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 pentagonal pyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 pentagonal pyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)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 32-66°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), 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(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-57°. 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(5), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a water-like geometry to 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   5.224
_cell_length_b   7.817
_cell_length_c   5.834
_cell_angle_alpha   97.612
_cell_angle_beta   99.953
_cell_angle_gamma   82.844
_symmetry_Int_Tables_number   1
_cell_volume   231.306
_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  0.998  0.494  0.995  1.0
  Mn  Mn1  1  0.522  0.007  0.477  1.0
  Mn  Mn2  1  0.503  0.673  0.160  1.0
  Mn  Mn3  1  0.491  0.315  0.844  1.0
  Mn  Mn4  1  0.037  0.689  0.623  1.0
  Mn  Mn5  1  0.967  0.303  0.371  1.0
  Mn  Mn6  1  0.987  0.999  0.013  1.0
  O  O7  1  0.825  0.094  0.278  1.0
  O  O8  1  0.700  0.096  0.791  1.0
  O  O9  1  0.696  0.773  0.444  1.0
  O  O10  1  0.703  0.430  0.134  1.0
  O  O11  1  0.305  0.556  0.870  1.0
  O  O12  1  0.309  0.229  0.534  1.0
  O  O13  1  0.297  0.898  0.208  1.0
  F  F14  1  0.832  0.445  0.660  1.0
  F  F15  1  0.834  0.738  0.962  1.0
  F  F16  1  0.163  0.540  0.334  1.0
  F  F17  1  0.171  0.254  0.026  1.0
  F  F18  1  0.175  0.919  0.744  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(5), one F(1), one F(2), one F(3), and one F(4) atom to form MgO2F4 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(4)O2F4 pentagonal pyramid, edges with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Mn(3)O4F2 octahedra, and  a faceface with one Mn(4)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(6), and one O(7) atom. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(7), one F(2), and one F(3) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(4)O2F4 pentagonal pyramids,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one O(6), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 pentagonal pyramids,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the fourth Mn site, Mn(4) is bonded to one O(3), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)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 32-66°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(4) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), 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(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, and  an edgeedge with one Mn(4)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 46-57°. 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(5), and one Mn(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a water-like geometry to 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   5.224
_cell_length_b   7.817
_cell_length_c   5.834
_cell_angle_alpha   97.612
_cell_angle_beta   99.953
_cell_angle_gamma   82.844
_symmetry_Int_Tables_number   1
_cell_volume   231.306
_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  0.998  0.494  0.995  1.0
  Mn  Mn1  1  0.522  0.007  0.477  1.0
  Mn  Mn2  1  0.503  0.673  0.160  1.0
  Mn  Mn3  1  0.491  0.315  0.844  1.0
  Mn  Mn4  1  0.037  0.689  0.623  1.0
  Mn  Mn5  1  0.967  0.303  0.371  1.0
  Mn  Mn6  1  0.987  0.999  0.013  1.0
  O  O7  1  0.825  0.094  0.278  1.0
  O  O8  1  0.700  0.096  0.791  1.0
  O  O9  1  0.696  0.773  0.444  1.0
  O  O10  1  0.703  0.430  0.134  1.0
  O  O11  1  0.305  0.556  0.870  1.0
  O  O12  1  0.309  0.229  0.534  1.0
  O  O13  1  0.297  0.898  0.208  1.0
  F  F14  1  0.832  0.445  0.660  1.0
  F  F15  1  0.834  0.738  0.962  1.0
  F  F16  1  0.163  0.540  0.334  1.0
  F  F17  1  0.171  0.254  0.026  1.0
  F  F18  1  0.175  0.919  0.744  1.0
[/CIF]
.