The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(7), one O(8), one F(1), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  a faceface with one Mn(4)O4F2 octahedra, and  a faceface with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(7), one O(8), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(4), one O(6), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one O(8), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), 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(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) 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 second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like 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 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   7.676
_cell_length_c   5.735
_cell_angle_alpha   98.262
_cell_angle_beta   95.576
_cell_angle_gamma   85.978
_symmetry_Int_Tables_number   1
_cell_volume   225.235
_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  0.985  0.850  0.347  1.0
  Mn  Mn1  1  0.486  0.977  0.518  1.0
  Mn  Mn2  1  0.491  0.654  0.161  1.0
  Mn  Mn3  1  0.540  0.341  0.810  1.0
  Mn  Mn4  1  0.997  0.640  0.697  1.0
  Mn  Mn5  1  0.973  0.328  0.321  1.0
  Mn  Mn6  1  0.005  0.015  0.960  1.0
  O  O7  1  0.840  0.417  0.617  1.0
  O  O8  1  0.862  0.093  0.265  1.0
  O  O9  1  0.683  0.093  0.786  1.0
  O  O10  1  0.688  0.754  0.470  1.0
  O  O11  1  0.682  0.432  0.116  1.0
  O  O12  1  0.328  0.560  0.853  1.0
  O  O13  1  0.308  0.887  0.209  1.0
  O  O14  1  0.145  0.880  0.687  1.0
  F  F15  1  0.833  0.764  0.011  1.0
  F  F16  1  0.327  0.225  0.522  1.0
  F  F17  1  0.146  0.568  0.348  1.0
  F  F18  1  0.181  0.251  0.041  1.0
[/CIF]
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The material described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(7), one O(8), one F(1), and one F(3) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(4)O4F2 octahedra,  a cornercorner with one Mn(6)O4F2 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, edges with two equivalent Mn(2)O4F2 octahedra,  a faceface with one Mn(4)O4F2 octahedra, and  a faceface with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-52°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(3), one O(4), one O(7), one O(8), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(4), one O(5), one O(6), one O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(3)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-57°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(5), one O(6), one F(2), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(4), one O(6), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(6)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-57°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(5), one F(2), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-51°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(3), one O(7), one O(8), one F(1), and one F(4) atom to form distorted MnO4F2 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(3)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 37-56°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), 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(3), and one Mn(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) 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 second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like 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 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.203
_cell_length_b   7.676
_cell_length_c   5.735
_cell_angle_alpha   98.262
_cell_angle_beta   95.576
_cell_angle_gamma   85.978
_symmetry_Int_Tables_number   1
_cell_volume   225.235
_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  0.985  0.850  0.347  1.0
  Mn  Mn1  1  0.486  0.977  0.518  1.0
  Mn  Mn2  1  0.491  0.654  0.161  1.0
  Mn  Mn3  1  0.540  0.341  0.810  1.0
  Mn  Mn4  1  0.997  0.640  0.697  1.0
  Mn  Mn5  1  0.973  0.328  0.321  1.0
  Mn  Mn6  1  0.005  0.015  0.960  1.0
  O  O7  1  0.840  0.417  0.617  1.0
  O  O8  1  0.862  0.093  0.265  1.0
  O  O9  1  0.683  0.093  0.786  1.0
  O  O10  1  0.688  0.754  0.470  1.0
  O  O11  1  0.682  0.432  0.116  1.0
  O  O12  1  0.328  0.560  0.853  1.0
  O  O13  1  0.308  0.887  0.209  1.0
  O  O14  1  0.145  0.880  0.687  1.0
  F  F15  1  0.833  0.764  0.011  1.0
  F  F16  1  0.327  0.225  0.522  1.0
  F  F17  1  0.146  0.568  0.348  1.0
  F  F18  1  0.181  0.251  0.041  1.0
[/CIF]
.