The material structure described by MgMn2(OF)2 is Corundum-derived structured and crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent F(1) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form corner-sharing OMn4 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMn2(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.033
_cell_length_b   6.730
_cell_length_c   3.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.125
_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  0.250  0.615  0.750  1.0
  Mn  Mn1  1  0.250  0.143  0.750  1.0
  Mn  Mn2  1  0.750  0.881  0.250  1.0
  O  O3  1  0.250  0.812  0.250  1.0
  O  O4  1  0.750  0.086  0.750  1.0
  F  F5  1  0.250  0.389  0.250  1.0
  F  F6  1  0.750  0.611  0.750  1.0
[/CIF]
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The material structure described by MgMn2(OF)2 is Corundum-derived structured and crystallizes in the orthorhombic Pmm2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form MgO2F4 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles are 1°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent F(1) atoms. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mn(2)O4F2 octahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 26°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form corner-sharing OMn4 trigonal pyramids. There are two inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to two equivalent Mg(1) and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_MgMn2(OF)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.033
_cell_length_b   6.730
_cell_length_c   3.247
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   88.125
_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  0.250  0.615  0.750  1.0
  Mn  Mn1  1  0.250  0.143  0.750  1.0
  Mn  Mn2  1  0.750  0.881  0.250  1.0
  O  O3  1  0.250  0.812  0.250  1.0
  O  O4  1  0.750  0.086  0.750  1.0
  F  F5  1  0.250  0.389  0.250  1.0
  F  F6  1  0.750  0.611  0.750  1.0
[/CIF]
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