The compound described by MgMn4(O2F3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MgO2F4 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and faces with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(2) atoms to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with five equivalent Mn(2)O3F3 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form MnO3F3 octahedra that share corners with five equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   6.055
_cell_length_c   7.931
_cell_angle_alpha   103.486
_cell_angle_beta   72.468
_cell_angle_gamma   63.813
_symmetry_Int_Tables_number   1
_cell_volume   192.160
_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  0.000  0.503  0.002  1.0
  Mn  Mn1  1  0.357  0.941  0.879  1.0
  Mn  Mn2  1  0.793  0.494  0.394  1.0
  Mn  Mn3  1  0.206  0.513  0.611  1.0
  Mn  Mn4  1  0.642  0.066  0.125  1.0
  O  O5  1  0.776  0.762  0.877  1.0
  O  O6  1  0.403  0.713  0.647  1.0
  O  O7  1  0.595  0.294  0.358  1.0
  O  O8  1  0.224  0.245  0.127  1.0
  F  F9  1  0.946  0.713  0.471  1.0
  F  F10  1  0.892  0.210  0.951  1.0
  F  F11  1  0.623  0.750  0.246  1.0
  F  F12  1  0.377  0.257  0.759  1.0
  F  F13  1  0.107  0.797  0.054  1.0
  F  F14  1  0.052  0.294  0.534  1.0
[/CIF]
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The compound described by MgMn4(O2F3)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(2), and two equivalent F(3) atoms to form MgO2F4 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and faces with two equivalent Mn(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(3), and two equivalent F(2) atoms to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with five equivalent Mn(2)O3F3 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(3), and two equivalent F(1) atoms to form MnO3F3 octahedra that share corners with five equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mg(1)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1) and two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMn4(O2F3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.173
_cell_length_b   6.055
_cell_length_c   7.931
_cell_angle_alpha   103.486
_cell_angle_beta   72.468
_cell_angle_gamma   63.813
_symmetry_Int_Tables_number   1
_cell_volume   192.160
_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  0.000  0.503  0.002  1.0
  Mn  Mn1  1  0.357  0.941  0.879  1.0
  Mn  Mn2  1  0.793  0.494  0.394  1.0
  Mn  Mn3  1  0.206  0.513  0.611  1.0
  Mn  Mn4  1  0.642  0.066  0.125  1.0
  O  O5  1  0.776  0.762  0.877  1.0
  O  O6  1  0.403  0.713  0.647  1.0
  O  O7  1  0.595  0.294  0.358  1.0
  O  O8  1  0.224  0.245  0.127  1.0
  F  F9  1  0.946  0.713  0.471  1.0
  F  F10  1  0.892  0.210  0.951  1.0
  F  F11  1  0.623  0.750  0.246  1.0
  F  F12  1  0.377  0.257  0.759  1.0
  F  F13  1  0.107  0.797  0.054  1.0
  F  F14  1  0.052  0.294  0.534  1.0
[/CIF]
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