The material structure described by MgMn4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with three equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mn(4)O5F octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(6), one O(7), and one F(1) atom to form MnO3F tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mg(1)O5F octahedra, and corners with three equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 52-70°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(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 O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a rectangular 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 distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. F(1) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   6.159
_cell_length_c   5.052
_cell_angle_alpha   89.963
_cell_angle_beta   71.420
_cell_angle_gamma   89.008
_symmetry_Int_Tables_number   1
_cell_volume   153.577
_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  0.503  0.092  0.267  1.0
  Mn  Mn1  1  0.905  0.852  0.604  1.0
  Mn  Mn2  1  0.009  0.354  0.249  1.0
  Mn  Mn3  1  0.508  0.357  0.770  1.0
  Mn  Mn4  1  0.493  0.597  0.271  1.0
  O  O5  1  0.271  0.156  0.011  1.0
  O  O6  1  0.304  0.835  0.468  1.0
  O  O7  1  0.300  0.375  0.501  1.0
  O  O8  1  0.274  0.567  0.033  1.0
  O  O9  1  0.715  0.367  0.029  1.0
  O  O10  1  0.744  0.571  0.493  1.0
  O  O11  1  0.759  0.145  0.504  1.0
  F  F12  1  0.729  0.838  0.038  1.0
[/CIF]
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The material structure described by MgMn4O7F crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one F(1) atom to form MgO5F octahedra that share corners with three equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mn(4)O5F octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(6), one O(7), and one F(1) atom to form MnO3F tetrahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with three equivalent Mg(1)O5F octahedra, and corners with three equivalent Mn(4)O5F octahedra. The corner-sharing octahedral tilt angles range from 52-70°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(4)O5F octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(1)O3F tetrahedra, edges with two equivalent Mg(1)O5F octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. There are seven inequivalent O sites. In the first O site, O(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 O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(4) atom. In the third O site, O(3) is bonded in a rectangular 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 distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(4) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OMn4 tetrahedra. In the seventh O site, O(7) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OMgMn3 tetrahedra. F(1) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(4) atom. is represented by the CIF file [CIF]
data_MgMn4O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.208
_cell_length_b   6.159
_cell_length_c   5.052
_cell_angle_alpha   89.963
_cell_angle_beta   71.420
_cell_angle_gamma   89.008
_symmetry_Int_Tables_number   1
_cell_volume   153.577
_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  0.503  0.092  0.267  1.0
  Mn  Mn1  1  0.905  0.852  0.604  1.0
  Mn  Mn2  1  0.009  0.354  0.249  1.0
  Mn  Mn3  1  0.508  0.357  0.770  1.0
  Mn  Mn4  1  0.493  0.597  0.271  1.0
  O  O5  1  0.271  0.156  0.011  1.0
  O  O6  1  0.304  0.835  0.468  1.0
  O  O7  1  0.300  0.375  0.501  1.0
  O  O8  1  0.274  0.567  0.033  1.0
  O  O9  1  0.715  0.367  0.029  1.0
  O  O10  1  0.744  0.571  0.493  1.0
  O  O11  1  0.759  0.145  0.504  1.0
  F  F12  1  0.729  0.838  0.038  1.0
[/CIF]
.