The material described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with two equivalent Mn(4)O4F square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. 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(4), one O(6), one O(7), and one F(5) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(4)O4F square pyramid, corners with two equivalent Mn(5)O4F square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(5) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-54°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(7), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with three equivalent Mn(4)O4F square pyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar 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 a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.437
_cell_length_b   5.847
_cell_length_c   6.032
_cell_angle_alpha   64.499
_cell_angle_beta   62.283
_cell_angle_gamma   64.349
_symmetry_Int_Tables_number   1
_cell_volume   227.466
_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  0.670  0.348  0.828  1.0
  Mn  Mn1  1  0.896  0.687  0.722  1.0
  Mn  Mn2  1  0.679  0.318  0.331  1.0
  Mn  Mn3  1  0.321  0.661  0.659  1.0
  Mn  Mn4  1  0.138  0.307  0.306  1.0
  Mn  Mn5  1  0.478  0.968  0.986  1.0
  Mn  Mn6  1  0.017  0.017  0.982  1.0
  O  O7  1  0.691  0.068  0.675  1.0
  O  O8  1  0.362  0.352  0.971  1.0
  O  O9  1  0.947  0.254  0.180  1.0
  O  O10  1  0.062  0.757  0.826  1.0
  O  O11  1  0.298  0.944  0.344  1.0
  O  O12  1  0.645  0.601  0.006  1.0
  O  O13  1  0.966  0.307  0.674  1.0
  F  F14  1  0.310  0.923  0.848  1.0
  F  F15  1  0.600  0.613  0.528  1.0
  F  F16  1  0.713  0.056  0.134  1.0
  F  F17  1  0.408  0.383  0.463  1.0
  F  F18  1  0.041  0.699  0.300  1.0
[/CIF]
.
The material described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(7), one F(2), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with two equivalent Mn(4)O4F square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. 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(4), one O(6), one O(7), and one F(5) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(4)O4F square pyramid, corners with two equivalent Mn(5)O4F square pyramids,  an edgeedge with one Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(4), one O(5), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(4)O4F square pyramids, corners with three equivalent Mn(5)O4F square pyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(5), one O(7), and one F(5) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra, and  an edgeedge with one Mn(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 39-62°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted MnO4F square pyramids that share  a cornercorner with one Mg(1)O4F2 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mg(1)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F square pyramid. The corner-sharing octahedral tilt angles range from 41-54°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(7), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(5)O4F square pyramid, corners with three equivalent Mn(4)O4F square pyramids,  an edgeedge with one Mg(1)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar 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 a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Mn(2) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.437
_cell_length_b   5.847
_cell_length_c   6.032
_cell_angle_alpha   64.499
_cell_angle_beta   62.283
_cell_angle_gamma   64.349
_symmetry_Int_Tables_number   1
_cell_volume   227.466
_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  0.670  0.348  0.828  1.0
  Mn  Mn1  1  0.896  0.687  0.722  1.0
  Mn  Mn2  1  0.679  0.318  0.331  1.0
  Mn  Mn3  1  0.321  0.661  0.659  1.0
  Mn  Mn4  1  0.138  0.307  0.306  1.0
  Mn  Mn5  1  0.478  0.968  0.986  1.0
  Mn  Mn6  1  0.017  0.017  0.982  1.0
  O  O7  1  0.691  0.068  0.675  1.0
  O  O8  1  0.362  0.352  0.971  1.0
  O  O9  1  0.947  0.254  0.180  1.0
  O  O10  1  0.062  0.757  0.826  1.0
  O  O11  1  0.298  0.944  0.344  1.0
  O  O12  1  0.645  0.601  0.006  1.0
  O  O13  1  0.966  0.307  0.674  1.0
  F  F14  1  0.310  0.923  0.848  1.0
  F  F15  1  0.600  0.613  0.528  1.0
  F  F16  1  0.713  0.056  0.134  1.0
  F  F17  1  0.408  0.383  0.463  1.0
  F  F18  1  0.041  0.699  0.300  1.0
[/CIF]
.