The compound described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one F(3), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)O3F trigonal pyramids, edges with two equivalent Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one F(1), one F(2), and one F(6) atom to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 40-57°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(5), and one F(6) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one F(2), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid, and  an edgeedge with one Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one O(6), one F(1), one F(2), and one F(3) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), and one F(5) atom to form distorted MnO3F trigonal pyramids that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra, corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(5) 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(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   4.933
_cell_length_c   9.494
_cell_angle_alpha   91.434
_cell_angle_beta   89.706
_cell_angle_gamma   89.597
_symmetry_Int_Tables_number   1
_cell_volume   227.977
_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  0.552  0.026  0.496  1.0
  Mn  Mn1  1  0.986  0.930  0.998  1.0
  Mn  Mn2  1  0.041  0.024  0.308  1.0
  Mn  Mn3  1  0.060  0.008  0.689  1.0
  Mn  Mn4  1  0.492  0.498  0.835  1.0
  Mn  Mn5  1  0.541  0.443  0.160  1.0
  Mn  Mn6  1  0.213  0.493  0.497  1.0
  O  O7  1  0.177  0.883  0.486  1.0
  O  O8  1  0.182  0.759  0.840  1.0
  O  O9  1  0.355  0.274  0.326  1.0
  O  O10  1  0.350  0.296  0.664  1.0
  O  O11  1  0.680  0.661  0.002  1.0
  O  O12  1  0.844  0.171  0.152  1.0
  F  F13  1  0.217  0.725  0.168  1.0
  F  F14  1  0.304  0.226  0.996  1.0
  F  F15  1  0.712  0.782  0.341  1.0
  F  F16  1  0.691  0.793  0.648  1.0
  F  F17  1  0.838  0.292  0.486  1.0
  F  F18  1  0.807  0.219  0.833  1.0
[/CIF]
.
The compound described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(4), one F(3), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)O3F trigonal pyramids, edges with two equivalent Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 42-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(6), one F(1), one F(2), and one F(6) atom to form a mixture of edge and corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid,  an edgeedge with one Mn(1)O3F3 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F trigonal pyramid. The corner-sharing octahedral tilt angles range from 40-57°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(4), one F(5), and one F(6) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one F(2), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid, and  an edgeedge with one Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(5), one O(6), one F(1), one F(2), and one F(3) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(2)O3F3 octahedra,  a cornercorner with one Mn(6)O3F trigonal pyramid, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-57°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), and one F(5) atom to form distorted MnO3F trigonal pyramids that share  a cornercorner with one Mn(2)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  a cornercorner with one Mn(5)O3F3 octahedra, corners with two equivalent Mg(1)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a tetrahedral geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(5) 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(5) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.869
_cell_length_b   4.933
_cell_length_c   9.494
_cell_angle_alpha   91.434
_cell_angle_beta   89.706
_cell_angle_gamma   89.597
_symmetry_Int_Tables_number   1
_cell_volume   227.977
_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  0.552  0.026  0.496  1.0
  Mn  Mn1  1  0.986  0.930  0.998  1.0
  Mn  Mn2  1  0.041  0.024  0.308  1.0
  Mn  Mn3  1  0.060  0.008  0.689  1.0
  Mn  Mn4  1  0.492  0.498  0.835  1.0
  Mn  Mn5  1  0.541  0.443  0.160  1.0
  Mn  Mn6  1  0.213  0.493  0.497  1.0
  O  O7  1  0.177  0.883  0.486  1.0
  O  O8  1  0.182  0.759  0.840  1.0
  O  O9  1  0.355  0.274  0.326  1.0
  O  O10  1  0.350  0.296  0.664  1.0
  O  O11  1  0.680  0.661  0.002  1.0
  O  O12  1  0.844  0.171  0.152  1.0
  F  F13  1  0.217  0.725  0.168  1.0
  F  F14  1  0.304  0.226  0.996  1.0
  F  F15  1  0.712  0.782  0.341  1.0
  F  F16  1  0.691  0.793  0.648  1.0
  F  F17  1  0.838  0.292  0.486  1.0
  F  F18  1  0.807  0.219  0.833  1.0
[/CIF]
.