The compound described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(8), one F(2), and one F(4) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  a faceface with one Mn(5)O3F3 octahedra, and  a faceface with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), 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)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-55°. 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 O(5), one O(6), and one F(4) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(5), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(4) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(6)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 41-55°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(7), one O(8), one F(1), one F(2), and one F(4) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F 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 39-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   7.665
_cell_length_c   5.735
_cell_angle_alpha   97.601
_cell_angle_beta   99.784
_cell_angle_gamma   83.152
_symmetry_Int_Tables_number   1
_cell_volume   226.897
_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  0.996  0.164  0.661  1.0
  Mn  Mn1  1  0.492  0.982  0.514  1.0
  Mn  Mn2  1  0.500  0.663  0.162  1.0
  Mn  Mn3  1  0.501  0.342  0.816  1.0
  Mn  Mn4  1  1.000  0.663  0.662  1.0
  Mn  Mn5  1  0.016  0.357  0.296  1.0
  Mn  Mn6  1  0.984  0.970  0.028  1.0
  O  O7  1  0.876  0.425  0.579  1.0
  O  O8  1  0.697  0.106  0.798  1.0
  O  O9  1  0.701  0.764  0.457  1.0
  O  O10  1  0.705  0.438  0.100  1.0
  O  O11  1  0.298  0.563  0.868  1.0
  O  O12  1  0.300  0.219  0.528  1.0
  O  O13  1  0.294  0.889  0.224  1.0
  O  O14  1  0.125  0.902  0.744  1.0
  F  F15  1  0.778  0.758  0.959  1.0
  F  F16  1  0.839  0.093  0.312  1.0
  F  F17  1  0.223  0.568  0.364  1.0
  F  F18  1  0.161  0.234  0.010  1.0
[/CIF]
.
The compound described by MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(6), one O(8), one F(2), and one F(4) atom to form MgO4F2 octahedra that share  a cornercorner with one Mn(5)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, edges with two equivalent Mn(1)O5F octahedra,  a faceface with one Mn(5)O3F3 octahedra, and  a faceface with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(6), one O(7), one O(8), and one F(2) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(5)O3F3 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(2)O4F2 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 39-62°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), 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)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and  an edgeedge with one Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 40-55°. 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 O(5), one O(6), and one F(4) atom. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(5), one O(8), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-62°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(4) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with two equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(6)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 41-55°. In the sixth Mn site, Mn(6) is bonded to one O(2), one O(7), one O(8), one F(1), one F(2), and one F(4) atom to form distorted MnO3F3 octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O5F 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 39-58°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(5) atom to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 T-shaped geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(O2F)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.310
_cell_length_b   7.665
_cell_length_c   5.735
_cell_angle_alpha   97.601
_cell_angle_beta   99.784
_cell_angle_gamma   83.152
_symmetry_Int_Tables_number   1
_cell_volume   226.897
_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  0.996  0.164  0.661  1.0
  Mn  Mn1  1  0.492  0.982  0.514  1.0
  Mn  Mn2  1  0.500  0.663  0.162  1.0
  Mn  Mn3  1  0.501  0.342  0.816  1.0
  Mn  Mn4  1  1.000  0.663  0.662  1.0
  Mn  Mn5  1  0.016  0.357  0.296  1.0
  Mn  Mn6  1  0.984  0.970  0.028  1.0
  O  O7  1  0.876  0.425  0.579  1.0
  O  O8  1  0.697  0.106  0.798  1.0
  O  O9  1  0.701  0.764  0.457  1.0
  O  O10  1  0.705  0.438  0.100  1.0
  O  O11  1  0.298  0.563  0.868  1.0
  O  O12  1  0.300  0.219  0.528  1.0
  O  O13  1  0.294  0.889  0.224  1.0
  O  O14  1  0.125  0.902  0.744  1.0
  F  F15  1  0.778  0.758  0.959  1.0
  F  F16  1  0.839  0.093  0.312  1.0
  F  F17  1  0.223  0.568  0.364  1.0
  F  F18  1  0.161  0.234  0.010  1.0
[/CIF]
.