The structure described by MgMn4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(2), one F(3), and one F(5) atom. 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 a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. 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 corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(6) atom. 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 a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. 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 4-coordinate 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 distorted trigonal pyramidal geometry to one Mg(1), 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 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a water-like geometry to 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   5.092
_cell_length_b   5.977
_cell_length_c   7.803
_cell_angle_alpha   103.877
_cell_angle_beta   70.234
_cell_angle_gamma   65.321
_symmetry_Int_Tables_number   1
_cell_volume   181.843
_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  0.381  0.549  0.161  1.0
  Mn  Mn1  1  0.342  0.998  0.873  1.0
  Mn  Mn2  1  0.808  0.483  0.390  1.0
  Mn  Mn3  1  0.202  0.508  0.632  1.0
  Mn  Mn4  1  0.668  0.997  0.128  1.0
  O  O5  1  0.754  0.767  0.871  1.0
  O  O6  1  0.399  0.727  0.646  1.0
  O  O7  1  0.577  0.304  0.351  1.0
  O  O8  1  0.249  0.250  0.135  1.0
  F  F9  1  0.975  0.721  0.437  1.0
  F  F10  1  0.849  0.214  0.965  1.0
  F  F11  1  0.582  0.737  0.247  1.0
  F  F12  1  0.389  0.261  0.758  1.0
  F  F13  1  0.140  0.788  0.062  1.0
  F  F14  1  0.040  0.296  0.538  1.0
[/CIF]
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The structure described by MgMn4(O2F3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), one F(1), one F(2), one F(3), and one F(5) atom. 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 a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 55-56°. 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 corner-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one F(1), one F(4), and one F(6) atom. 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 a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-58°. 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 4-coordinate 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 distorted trigonal pyramidal geometry to one Mg(1), 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 3-coordinate geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mg(1), one Mn(2), and one Mn(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one Mn(3) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the sixth F site, F(6) is bonded in a water-like geometry to 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   5.092
_cell_length_b   5.977
_cell_length_c   7.803
_cell_angle_alpha   103.877
_cell_angle_beta   70.234
_cell_angle_gamma   65.321
_symmetry_Int_Tables_number   1
_cell_volume   181.843
_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  0.381  0.549  0.161  1.0
  Mn  Mn1  1  0.342  0.998  0.873  1.0
  Mn  Mn2  1  0.808  0.483  0.390  1.0
  Mn  Mn3  1  0.202  0.508  0.632  1.0
  Mn  Mn4  1  0.668  0.997  0.128  1.0
  O  O5  1  0.754  0.767  0.871  1.0
  O  O6  1  0.399  0.727  0.646  1.0
  O  O7  1  0.577  0.304  0.351  1.0
  O  O8  1  0.249  0.250  0.135  1.0
  F  F9  1  0.975  0.721  0.437  1.0
  F  F10  1  0.849  0.214  0.965  1.0
  F  F11  1  0.582  0.737  0.247  1.0
  F  F12  1  0.389  0.261  0.758  1.0
  F  F13  1  0.140  0.788  0.062  1.0
  F  F14  1  0.040  0.296  0.538  1.0
[/CIF]
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