The material structure described by MgMn4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form distorted MgOF5 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and  a faceface with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-61°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with three equivalent Mn(4)O3F3 octahedra, edges with two equivalent Mg(1)OF5 octahedra, and edges with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with three equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mg(1)OF5 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal pyramidal 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(2), and one Mn(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) 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   5.033
_cell_length_b   6.143
_cell_length_c   7.912
_cell_angle_alpha   106.927
_cell_angle_beta   69.232
_cell_angle_gamma   69.200
_symmetry_Int_Tables_number   1
_cell_volume   187.912
_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  0.867  0.986  0.410  1.0
  Mn  Mn1  1  0.344  0.973  0.862  1.0
  Mn  Mn2  1  0.804  0.479  0.358  1.0
  Mn  Mn3  1  0.182  0.495  0.621  1.0
  Mn  Mn4  1  0.657  0.013  0.106  1.0
  O  O5  1  0.750  0.753  0.857  1.0
  O  O6  1  0.412  0.692  0.632  1.0
  O  O7  1  0.594  0.263  0.354  1.0
  O  O8  1  0.251  0.228  0.117  1.0
  F  F9  1  0.012  0.683  0.453  1.0
  F  F10  1  0.890  0.181  0.946  1.0
  F  F11  1  0.643  0.785  0.290  1.0
  F  F12  1  0.449  0.186  0.685  1.0
  F  F13  1  0.105  0.825  0.074  1.0
  F  F14  1  0.023  0.248  0.501  1.0
[/CIF]
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The material structure described by MgMn4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form distorted MgOF5 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, edges with two equivalent Mn(2)O3F3 octahedra, and  a faceface with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-61°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one F(2), one F(4), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, corners with three equivalent Mn(3)O3F3 octahedra, and edges with two equivalent Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 41-61°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(4), one F(1), one F(3), and one F(6) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with three equivalent Mn(4)O3F3 octahedra, edges with two equivalent Mg(1)OF5 octahedra, and edges with two equivalent Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. In the third Mn site, Mn(3) is bonded to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(6) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)OF5 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with three equivalent Mn(1)O3F3 octahedra,  an edgeedge with one Mg(1)OF5 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-54°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(3), one O(4), one F(2), one F(3), and one F(5) atom to form distorted MnO3F3 octahedra that share corners with two equivalent Mn(3)O3F3 octahedra, corners with three equivalent Mn(2)O3F3 octahedra, edges with two equivalent Mn(1)O3F3 octahedra, and  a faceface with one Mg(1)OF5 octahedra. The corner-sharing octahedral tilt angles range from 22-56°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded in a trigonal pyramidal 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(2), and one Mn(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a water-like geometry to one Mn(1) and one Mn(4) atom. In the third F site, F(3) is bonded in a T-shaped geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(3) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) 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   5.033
_cell_length_b   6.143
_cell_length_c   7.912
_cell_angle_alpha   106.927
_cell_angle_beta   69.232
_cell_angle_gamma   69.200
_symmetry_Int_Tables_number   1
_cell_volume   187.912
_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  0.867  0.986  0.410  1.0
  Mn  Mn1  1  0.344  0.973  0.862  1.0
  Mn  Mn2  1  0.804  0.479  0.358  1.0
  Mn  Mn3  1  0.182  0.495  0.621  1.0
  Mn  Mn4  1  0.657  0.013  0.106  1.0
  O  O5  1  0.750  0.753  0.857  1.0
  O  O6  1  0.412  0.692  0.632  1.0
  O  O7  1  0.594  0.263  0.354  1.0
  O  O8  1  0.251  0.228  0.117  1.0
  F  F9  1  0.012  0.683  0.453  1.0
  F  F10  1  0.890  0.181  0.946  1.0
  F  F11  1  0.643  0.785  0.290  1.0
  F  F12  1  0.449  0.186  0.685  1.0
  F  F13  1  0.105  0.825  0.074  1.0
  F  F14  1  0.023  0.248  0.501  1.0
[/CIF]
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