The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), two equivalent O(2), one F(4), and two equivalent F(6) atoms to form MgO3F3 octahedra that share  a cornercorner with one Mn(3)O2F2 tetrahedra, edges with two equivalent Mg(1)O3F3 octahedra, and edges with four equivalent Mn(6)O3F3 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(6), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), one F(3), and two equivalent F(5) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and corners with two equivalent Mn(3)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(6), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), two equivalent O(5), one F(1), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F2 tetrahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the sixth Mn site, Mn(6) is bonded to one O(2), two equivalent O(3), one F(6), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O2F2 tetrahedra, edges with two equivalent Mn(6)O3F3 octahedra, and edges with four equivalent Mg(1)O3F3 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(6), and two equivalent Mn(1) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Mn(6) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(5) and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   14.675
_cell_length_c   3.058
_cell_angle_alpha   90.830
_cell_angle_beta   89.698
_cell_angle_gamma   94.314
_symmetry_Int_Tables_number   1
_cell_volume   238.112
_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  0.839  0.836  0.935  1.0
  Mn  Mn1  1  0.959  0.026  0.988  1.0
  Mn  Mn2  1  0.136  0.325  0.011  1.0
  Mn  Mn3  1  0.058  0.630  0.006  1.0
  Mn  Mn4  1  0.548  0.175  0.511  1.0
  Mn  Mn5  1  0.581  0.485  0.509  1.0
  Mn  Mn6  1  0.318  0.839  0.447  1.0
  O  O7  1  0.277  0.262  0.516  1.0
  O  O8  1  0.019  0.931  0.470  1.0
  O  O9  1  0.148  0.767  0.942  1.0
  O  O10  1  0.411  0.424  0.007  1.0
  O  O11  1  0.746  0.550  0.011  1.0
  O  O12  1  0.828  0.089  0.494  1.0
  F  F13  1  0.276  0.588  0.500  1.0
  F  F14  1  0.347  0.099  0.007  1.0
  F  F15  1  0.753  0.243  0.012  1.0
  F  F16  1  0.541  0.909  0.949  1.0
  F  F17  1  0.955  0.386  0.505  1.0
  F  F18  1  0.676  0.770  0.431  1.0
[/CIF]
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The material described by MgMn6(OF)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), two equivalent O(2), one F(4), and two equivalent F(6) atoms to form MgO3F3 octahedra that share  a cornercorner with one Mn(3)O2F2 tetrahedra, edges with two equivalent Mg(1)O3F3 octahedra, and edges with four equivalent Mn(6)O3F3 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to two equivalent O(2), two equivalent O(6), and one F(2) atom. In the second Mn site, Mn(2) is bonded to one O(4), two equivalent O(1), one F(3), and two equivalent F(5) atoms to form MnO3F3 octahedra that share corners with four equivalent Mn(4)O2F4 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), and two equivalent F(1) atoms to form MnO2F2 tetrahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Mn(6)O3F3 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and corners with two equivalent Mn(3)O2F2 tetrahedra. The corner-sharing octahedral tilt angles range from 49-69°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(6), two equivalent F(2), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra and edges with two equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(4), two equivalent O(5), one F(1), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O2F2 tetrahedra, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-52°. In the sixth Mn site, Mn(6) is bonded to one O(2), two equivalent O(3), one F(6), and two equivalent F(4) atoms to form MnO3F3 octahedra that share corners with two equivalent Mn(3)O2F2 tetrahedra, edges with two equivalent Mn(6)O3F3 octahedra, and edges with four equivalent Mg(1)O3F3 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Mn(6), and two equivalent Mn(1) atoms to form distorted edge-sharing OMg2Mn3 trigonal bipyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(3), and two equivalent Mn(6) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(5) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1) and two equivalent Mn(6) atoms. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mn(5) and two equivalent Mn(2) atoms. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Mn(6) atom. is represented by the CIF file [CIF]
data_MgMn6(OF)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.321
_cell_length_b   14.675
_cell_length_c   3.058
_cell_angle_alpha   90.830
_cell_angle_beta   89.698
_cell_angle_gamma   94.314
_symmetry_Int_Tables_number   1
_cell_volume   238.112
_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  0.839  0.836  0.935  1.0
  Mn  Mn1  1  0.959  0.026  0.988  1.0
  Mn  Mn2  1  0.136  0.325  0.011  1.0
  Mn  Mn3  1  0.058  0.630  0.006  1.0
  Mn  Mn4  1  0.548  0.175  0.511  1.0
  Mn  Mn5  1  0.581  0.485  0.509  1.0
  Mn  Mn6  1  0.318  0.839  0.447  1.0
  O  O7  1  0.277  0.262  0.516  1.0
  O  O8  1  0.019  0.931  0.470  1.0
  O  O9  1  0.148  0.767  0.942  1.0
  O  O10  1  0.411  0.424  0.007  1.0
  O  O11  1  0.746  0.550  0.011  1.0
  O  O12  1  0.828  0.089  0.494  1.0
  F  F13  1  0.276  0.588  0.500  1.0
  F  F14  1  0.347  0.099  0.007  1.0
  F  F15  1  0.753  0.243  0.012  1.0
  F  F16  1  0.541  0.909  0.949  1.0
  F  F17  1  0.955  0.386  0.505  1.0
  F  F18  1  0.676  0.770  0.431  1.0
[/CIF]
.