The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(6)O2F4 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one F(3), and one F(4) atom. In the second Mn site, Mn(2) is bonded in a distorted pentagonal planar geometry to one O(2), one O(3), one O(4), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, and corners with four equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(5), one F(1), one F(5), and one F(6) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(6), one F(2), one F(3), one F(4), and one F(6) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), 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 OMgMn3 tetrahedra that share  a cornercorner with one F(4)MgMn3 trigonal pyramid, corners with three equivalent O(4)MgMn3 trigonal pyramids, and  an edgeedge with one F(4)MgMn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted 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(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with three equivalent O(2)MgMn3 tetrahedra and  an edgeedge with one F(4)MgMn3 trigonal pyramid. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(4), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted 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 to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(2)MgMn3 tetrahedra,  an edgeedge with one O(2)MgMn3 tetrahedra, and  an edgeedge with one O(4)MgMn3 trigonal pyramid. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   7.662
_cell_length_c   5.973
_cell_angle_alpha   95.446
_cell_angle_beta   100.575
_cell_angle_gamma   84.447
_symmetry_Int_Tables_number   1
_cell_volume   233.762
_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  0.475  0.811  0.813  1.0
  Mn  Mn1  1  0.608  0.034  0.434  1.0
  Mn  Mn2  1  0.476  0.610  0.243  1.0
  Mn  Mn3  1  0.474  0.337  0.822  1.0
  Mn  Mn4  1  0.979  0.663  0.672  1.0
  Mn  Mn5  1  0.011  0.321  0.315  1.0
  Mn  Mn6  1  0.006  0.997  1.000  1.0
  O  O7  1  0.910  0.086  0.280  1.0
  O  O8  1  0.638  0.765  0.531  1.0
  O  O9  1  0.686  0.400  0.118  1.0
  O  O10  1  0.319  0.578  0.849  1.0
  O  O11  1  0.350  0.259  0.505  1.0
  O  O12  1  0.101  0.895  0.721  1.0
  F  F13  1  0.844  0.430  0.624  1.0
  F  F14  1  0.827  0.772  0.001  1.0
  F  F15  1  0.630  0.079  0.821  1.0
  F  F16  1  0.383  0.890  0.139  1.0
  F  F17  1  0.120  0.570  0.346  1.0
  F  F18  1  0.178  0.220  0.994  1.0
[/CIF]
.
The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(4), one O(6), one F(2), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(6)O2F4 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-51°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(5), one F(3), and one F(4) atom. In the second Mn site, Mn(2) is bonded in a distorted pentagonal planar geometry to one O(2), one O(3), one O(4), one F(4), and one F(5) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(4), one O(5), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O2F4 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, and corners with four equivalent Mn(5)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(6), one F(1), one F(2), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(3), one O(5), one F(1), one F(5), and one F(6) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(6)O2F4 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(6), one F(2), one F(3), one F(4), and one F(6) atom to form MnO2F4 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 38-56°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(5), 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 OMgMn3 tetrahedra that share  a cornercorner with one F(4)MgMn3 trigonal pyramid, corners with three equivalent O(4)MgMn3 trigonal pyramids, and  an edgeedge with one F(4)MgMn3 trigonal pyramid. In the third O site, O(3) is bonded in a distorted 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(2), one Mn(3), and one Mn(4) atom to form distorted OMgMn3 trigonal pyramids that share corners with three equivalent O(2)MgMn3 tetrahedra and  an edgeedge with one F(4)MgMn3 trigonal pyramid. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(4), and one Mn(6) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the third F site, F(3) is bonded in a distorted 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 to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share  a cornercorner with one O(2)MgMn3 tetrahedra,  an edgeedge with one O(2)MgMn3 tetrahedra, and  an edgeedge with one O(4)MgMn3 trigonal pyramid. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.236
_cell_length_b   7.662
_cell_length_c   5.973
_cell_angle_alpha   95.446
_cell_angle_beta   100.575
_cell_angle_gamma   84.447
_symmetry_Int_Tables_number   1
_cell_volume   233.762
_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  0.475  0.811  0.813  1.0
  Mn  Mn1  1  0.608  0.034  0.434  1.0
  Mn  Mn2  1  0.476  0.610  0.243  1.0
  Mn  Mn3  1  0.474  0.337  0.822  1.0
  Mn  Mn4  1  0.979  0.663  0.672  1.0
  Mn  Mn5  1  0.011  0.321  0.315  1.0
  Mn  Mn6  1  0.006  0.997  1.000  1.0
  O  O7  1  0.910  0.086  0.280  1.0
  O  O8  1  0.638  0.765  0.531  1.0
  O  O9  1  0.686  0.400  0.118  1.0
  O  O10  1  0.319  0.578  0.849  1.0
  O  O11  1  0.350  0.259  0.505  1.0
  O  O12  1  0.101  0.895  0.721  1.0
  F  F13  1  0.844  0.430  0.624  1.0
  F  F14  1  0.827  0.772  0.001  1.0
  F  F15  1  0.630  0.079  0.821  1.0
  F  F16  1  0.383  0.890  0.139  1.0
  F  F17  1  0.120  0.570  0.346  1.0
  F  F18  1  0.178  0.220  0.994  1.0
[/CIF]
.