The compound described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(6) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. 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 MnO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, and corners with four equivalent Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-67°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom. 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 Mn(1)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. 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 MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 59-67°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. 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 distorted corner-sharing OMgMn3 trigonal pyramids. There are eight 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 distorted trigonal planar geometry to one Mn(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 Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(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 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 distorted trigonal non-coplanar geometry to one Mg(1), 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 Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   7.920
_cell_length_c   5.969
_cell_angle_alpha   95.054
_cell_angle_beta   95.461
_cell_angle_gamma   85.911
_symmetry_Int_Tables_number   1
_cell_volume   244.780
_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  0.479  0.491  0.481  1.0
  Mn  Mn1  1  0.488  0.004  0.500  1.0
  Mn  Mn2  1  0.635  0.684  0.139  1.0
  Mn  Mn3  1  0.459  0.316  0.885  1.0
  Mn  Mn4  1  0.973  0.681  0.649  1.0
  Mn  Mn5  1  0.984  0.306  0.355  1.0
  Mn  Mn6  1  0.013  0.983  0.993  1.0
  O  O7  1  0.858  0.755  0.931  1.0
  O  O8  1  0.647  0.735  0.473  1.0
  O  O9  1  0.638  0.439  0.174  1.0
  O  O10  1  0.341  0.263  0.540  1.0
  F  F11  1  0.812  0.427  0.653  1.0
  F  F12  1  0.830  0.066  0.304  1.0
  F  F13  1  0.680  0.090  0.823  1.0
  F  F14  1  0.328  0.577  0.793  1.0
  F  F15  1  0.365  0.896  0.157  1.0
  F  F16  1  0.128  0.579  0.368  1.0
  F  F17  1  0.157  0.227  0.042  1.0
  F  F18  1  0.172  0.913  0.669  1.0
[/CIF]
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The compound described by MgMn6(OF2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(4), and one F(6) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The corner-sharing octahedral tilt angles are 46°. 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 MnO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, and corners with four equivalent Mn(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 40-67°. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(3), one F(4), and one F(7) atom. 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 Mn(1)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-63°. 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 MnO2F4 octahedra that share corners with two equivalent Mn(1)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(6)OF5 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 59-67°. In the sixth Mn site, Mn(6) is bonded to one O(1), one F(2), one F(3), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 40-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. 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 distorted corner-sharing OMgMn3 trigonal pyramids. There are eight 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 distorted trigonal planar geometry to one Mn(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 Mn(1), one Mn(3), and one Mn(6) atom. In the fourth F site, F(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 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 distorted trigonal non-coplanar geometry to one Mg(1), 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 Mn(3), one Mn(5), and one Mn(6) atom. In the eighth F site, F(8) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(4), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(OF2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.233
_cell_length_b   7.920
_cell_length_c   5.969
_cell_angle_alpha   95.054
_cell_angle_beta   95.461
_cell_angle_gamma   85.911
_symmetry_Int_Tables_number   1
_cell_volume   244.780
_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  0.479  0.491  0.481  1.0
  Mn  Mn1  1  0.488  0.004  0.500  1.0
  Mn  Mn2  1  0.635  0.684  0.139  1.0
  Mn  Mn3  1  0.459  0.316  0.885  1.0
  Mn  Mn4  1  0.973  0.681  0.649  1.0
  Mn  Mn5  1  0.984  0.306  0.355  1.0
  Mn  Mn6  1  0.013  0.983  0.993  1.0
  O  O7  1  0.858  0.755  0.931  1.0
  O  O8  1  0.647  0.735  0.473  1.0
  O  O9  1  0.638  0.439  0.174  1.0
  O  O10  1  0.341  0.263  0.540  1.0
  F  F11  1  0.812  0.427  0.653  1.0
  F  F12  1  0.830  0.066  0.304  1.0
  F  F13  1  0.680  0.090  0.823  1.0
  F  F14  1  0.328  0.577  0.793  1.0
  F  F15  1  0.365  0.896  0.157  1.0
  F  F16  1  0.128  0.579  0.368  1.0
  F  F17  1  0.157  0.227  0.042  1.0
  F  F18  1  0.172  0.913  0.669  1.0
[/CIF]
.