The structure described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one F(1), one F(2), one F(3), one F(7), and one F(8) atom to form MgOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 pentagonal pyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and  a faceface with one Mn(5)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-49°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 pentagonal pyramids, corners with two equivalent Mn(6)O2F3 trigonal bipyramids,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mg(1)OF5 octahedra, and  an edgeedge with one Mn(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 pentagonal pyramids,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 pentagonal pyramids,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(5)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 35-67°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-69°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), one F(2), one F(3), and one F(5) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 pentagonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 39-76°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(6) atom to form distorted corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form corner-sharing OMgMn3 trigonal pyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like 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 distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   8.038
_cell_length_c   5.678
_cell_angle_alpha   91.178
_cell_angle_beta   95.389
_cell_angle_gamma   84.537
_symmetry_Int_Tables_number   1
_cell_volume   239.844
_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  0.027  0.168  0.700  1.0
  Mn  Mn1  1  0.498  0.997  0.522  1.0
  Mn  Mn2  1  0.531  0.670  0.141  1.0
  Mn  Mn3  1  0.503  0.354  0.823  1.0
  Mn  Mn4  1  0.963  0.685  0.659  1.0
  Mn  Mn5  1  0.041  0.367  0.289  1.0
  Mn  Mn6  1  0.909  0.919  0.137  1.0
  O  O7  1  0.748  0.761  0.897  1.0
  O  O8  1  0.732  0.787  0.404  1.0
  O  O9  1  0.688  0.455  0.125  1.0
  O  O10  1  0.315  0.237  0.539  1.0
  F  F11  1  0.846  0.409  0.643  1.0
  F  F12  1  0.840  0.121  0.372  1.0
  F  F13  1  0.733  0.107  0.856  1.0
  F  F14  1  0.250  0.587  0.893  1.0
  F  F15  1  0.305  0.891  0.181  1.0
  F  F16  1  0.193  0.598  0.405  1.0
  F  F17  1  0.197  0.237  0.006  1.0
  F  F18  1  0.167  0.925  0.688  1.0
[/CIF]
.
The structure described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one F(1), one F(2), one F(3), one F(7), and one F(8) atom to form MgOF5 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 pentagonal pyramid, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, edges with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and  a faceface with one Mn(5)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-49°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(4), one F(2), one F(3), one F(5), and one F(8) atom to form distorted MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 pentagonal pyramids, corners with two equivalent Mn(6)O2F3 trigonal bipyramids,  an edgeedge with one Mn(3)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, edges with two equivalent Mg(1)OF5 octahedra, and  an edgeedge with one Mn(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 48-67°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one F(4), one F(5), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 pentagonal pyramids,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(3)O2F4 octahedra, and  an edgeedge with one Mn(6)O2F3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 35-52°. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O2F4 pentagonal pyramids,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(1)O2F4 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and edges with two equivalent Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one F(1), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with four equivalent Mn(2)O3F3 octahedra, corners with two equivalent Mn(6)O2F3 trigonal bipyramids, and  an edgeedge with one Mn(5)O2F4 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 35-67°. In the fifth Mn site, Mn(5) is bonded to one O(3), one O(4), one F(1), one F(2), one F(6), and one F(7) atom to form distorted MnO2F4 pentagonal pyramids that share  a cornercorner with one Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F4 octahedra,  a cornercorner with one Mn(6)O2F3 trigonal bipyramid,  an edgeedge with one Mn(4)O2F4 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-69°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), one F(2), one F(3), and one F(5) atom to form distorted MnO2F3 trigonal bipyramids that share  a cornercorner with one Mn(3)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(1)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 pentagonal pyramid,  an edgeedge with one Mn(1)O2F4 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 39-76°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(6) atom to form distorted corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form corner-sharing OMgMn3 trigonal pyramids. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like 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 distorted see-saw-like geometry to one Mg(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(3), and one Mn(5) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.303
_cell_length_b   8.038
_cell_length_c   5.678
_cell_angle_alpha   91.178
_cell_angle_beta   95.389
_cell_angle_gamma   84.537
_symmetry_Int_Tables_number   1
_cell_volume   239.844
_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  0.027  0.168  0.700  1.0
  Mn  Mn1  1  0.498  0.997  0.522  1.0
  Mn  Mn2  1  0.531  0.670  0.141  1.0
  Mn  Mn3  1  0.503  0.354  0.823  1.0
  Mn  Mn4  1  0.963  0.685  0.659  1.0
  Mn  Mn5  1  0.041  0.367  0.289  1.0
  Mn  Mn6  1  0.909  0.919  0.137  1.0
  O  O7  1  0.748  0.761  0.897  1.0
  O  O8  1  0.732  0.787  0.404  1.0
  O  O9  1  0.688  0.455  0.125  1.0
  O  O10  1  0.315  0.237  0.539  1.0
  F  F11  1  0.846  0.409  0.643  1.0
  F  F12  1  0.840  0.121  0.372  1.0
  F  F13  1  0.733  0.107  0.856  1.0
  F  F14  1  0.250  0.587  0.893  1.0
  F  F15  1  0.305  0.891  0.181  1.0
  F  F16  1  0.193  0.598  0.405  1.0
  F  F17  1  0.197  0.237  0.006  1.0
  F  F18  1  0.167  0.925  0.688  1.0
[/CIF]
.