The compound described by MgMn4(OF)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share edges with two equivalent Mn(4)O3F3 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(3) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(2), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share edges with two equivalent Mg(1)O3F3 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OMgMn3 tetrahedra that share corners with two equivalent F(3)MgMn3 trigonal pyramids and  an edgeedge with one F(3)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted FMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 tetrahedra and  an edgeedge with one O(1)MgMn3 tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.883
_cell_length_c   5.526
_cell_angle_alpha   100.832
_cell_angle_beta   102.968
_cell_angle_gamma   79.505
_symmetry_Int_Tables_number   1
_cell_volume   164.229
_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  0.425  0.150  0.210  1.0
  Mn  Mn1  1  0.059  0.837  0.654  1.0
  Mn  Mn2  1  0.940  0.127  0.222  1.0
  Mn  Mn3  1  0.835  0.442  0.829  1.0
  Mn  Mn4  1  0.476  0.647  0.275  1.0
  O  O5  1  0.093  0.130  0.949  1.0
  O  O6  1  0.242  0.938  0.389  1.0
  O  O7  1  0.649  0.356  0.101  1.0
  O  O8  1  0.738  0.664  0.569  1.0
  F  F9  1  0.247  0.431  0.399  1.0
  F  F10  1  0.192  0.621  0.948  1.0
  F  F11  1  0.754  0.150  0.504  1.0
  F  F12  1  0.655  0.865  0.088  1.0
[/CIF]
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The compound described by MgMn4(OF)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share edges with two equivalent Mn(4)O3F3 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one F(1), one F(2), and one F(3) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(3), and one F(4) atom. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one F(2), and one F(3) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form MnO3F3 octahedra that share edges with two equivalent Mg(1)O3F3 octahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OMgMn3 tetrahedra that share corners with two equivalent F(3)MgMn3 trigonal pyramids and  an edgeedge with one F(3)MgMn3 trigonal pyramid. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(4) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted FMgMn3 trigonal pyramids that share corners with two equivalent O(1)MgMn3 tetrahedra and  an edgeedge with one O(1)MgMn3 tetrahedra. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4(OF)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.335
_cell_length_b   5.883
_cell_length_c   5.526
_cell_angle_alpha   100.832
_cell_angle_beta   102.968
_cell_angle_gamma   79.505
_symmetry_Int_Tables_number   1
_cell_volume   164.229
_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  0.425  0.150  0.210  1.0
  Mn  Mn1  1  0.059  0.837  0.654  1.0
  Mn  Mn2  1  0.940  0.127  0.222  1.0
  Mn  Mn3  1  0.835  0.442  0.829  1.0
  Mn  Mn4  1  0.476  0.647  0.275  1.0
  O  O5  1  0.093  0.130  0.949  1.0
  O  O6  1  0.242  0.938  0.389  1.0
  O  O7  1  0.649  0.356  0.101  1.0
  O  O8  1  0.738  0.664  0.569  1.0
  F  F9  1  0.247  0.431  0.399  1.0
  F  F10  1  0.192  0.621  0.948  1.0
  F  F11  1  0.754  0.150  0.504  1.0
  F  F12  1  0.655  0.865  0.088  1.0
[/CIF]
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