The crystal structure described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(3)O4F square pyramid,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and faces with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 37-74°. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one F(2) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with three equivalent Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-73°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(3)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), one O(3), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O4F square pyramid, corners with three equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted OMgMn3 tetrahedra that share corners with three equivalent F(2)MgMn3 trigonal pyramids. 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share corners with three equivalent O(3)MgMn3 tetrahedra. In the third F site, F(3) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.205
_cell_length_b   8.031
_cell_length_c   6.078
_cell_angle_alpha   101.616
_cell_angle_beta   99.945
_cell_angle_gamma   81.820
_symmetry_Int_Tables_number   1
_cell_volume   243.626
_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  0.488  1.000  0.963  1.0
  Mn  Mn1  1  0.585  0.027  0.479  1.0
  Mn  Mn2  1  0.514  0.648  0.178  1.0
  Mn  Mn3  1  0.508  0.355  0.809  1.0
  Mn  Mn4  1  0.971  0.668  0.684  1.0
  Mn  Mn5  1  0.983  0.321  0.342  1.0
  Mn  Mn6  1  0.976  0.995  0.007  1.0
  O  O7  1  0.795  0.801  0.936  1.0
  O  O8  1  0.783  0.091  0.247  1.0
  O  O9  1  0.682  0.118  0.797  1.0
  O  O10  1  0.700  0.770  0.466  1.0
  O  O11  1  0.694  0.430  0.118  1.0
  O  O12  1  0.291  0.573  0.888  1.0
  O  O13  1  0.324  0.230  0.525  1.0
  F  F14  1  0.796  0.434  0.630  1.0
  F  F15  1  0.341  0.894  0.189  1.0
  F  F16  1  0.152  0.557  0.423  1.0
  F  F17  1  0.199  0.185  0.053  1.0
  F  F18  1  0.191  0.905  0.753  1.0
[/CIF]
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The crystal structure described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(4), and one F(5) atom to form distorted MgO3F3 octahedra that share corners with two equivalent Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra,  a cornercorner with one Mn(3)O4F square pyramid,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F trigonal bipyramid, and faces with two equivalent Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(7), and one F(2) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra, corners with two equivalent Mn(5)O3F3 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(3)O4F square pyramid. The corner-sharing octahedral tilt angles range from 37-74°. In the second Mn site, Mn(2) is bonded in a distorted rectangular see-saw-like geometry to one O(4), one O(5), one O(6), and one F(2) atom. In the third Mn site, Mn(3) is bonded to one O(3), one O(5), one O(6), one O(7), and one F(1) atom to form MnO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(6)O3F3 octahedra, corners with two equivalent Mn(4)O3F3 octahedra, corners with three equivalent Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 44-73°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(3)O4F square pyramids,  a cornercorner with one Mn(1)O4F trigonal bipyramid,  an edgeedge with one Mn(5)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 42-45°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(5), one O(7), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Mn(3)O4F square pyramids, corners with two equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O3F3 octahedra, and  an edgeedge with one Mn(6)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-47°. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(2), one O(3), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O4F square pyramid, corners with three equivalent Mn(1)O4F trigonal bipyramids,  an edgeedge with one Mn(4)O3F3 octahedra,  an edgeedge with one Mn(5)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(4), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(5), and one Mn(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(1), one Mn(3), and one Mn(6) atom to form distorted OMgMn3 tetrahedra that share corners with three equivalent F(2)MgMn3 trigonal pyramids. 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. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the second F site, F(2) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(6) atom to form distorted FMgMn3 trigonal pyramids that share corners with three equivalent O(3)MgMn3 tetrahedra. In the third F site, F(3) is bonded in a water-like geometry to one Mn(4) and one Mn(5) atom. In the fourth F site, F(4) is bonded in a T-shaped geometry to one Mg(1), one Mn(5), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(4), and one Mn(6) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.205
_cell_length_b   8.031
_cell_length_c   6.078
_cell_angle_alpha   101.616
_cell_angle_beta   99.945
_cell_angle_gamma   81.820
_symmetry_Int_Tables_number   1
_cell_volume   243.626
_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  0.488  1.000  0.963  1.0
  Mn  Mn1  1  0.585  0.027  0.479  1.0
  Mn  Mn2  1  0.514  0.648  0.178  1.0
  Mn  Mn3  1  0.508  0.355  0.809  1.0
  Mn  Mn4  1  0.971  0.668  0.684  1.0
  Mn  Mn5  1  0.983  0.321  0.342  1.0
  Mn  Mn6  1  0.976  0.995  0.007  1.0
  O  O7  1  0.795  0.801  0.936  1.0
  O  O8  1  0.783  0.091  0.247  1.0
  O  O9  1  0.682  0.118  0.797  1.0
  O  O10  1  0.700  0.770  0.466  1.0
  O  O11  1  0.694  0.430  0.118  1.0
  O  O12  1  0.291  0.573  0.888  1.0
  O  O13  1  0.324  0.230  0.525  1.0
  F  F14  1  0.796  0.434  0.630  1.0
  F  F15  1  0.341  0.894  0.189  1.0
  F  F16  1  0.152  0.557  0.423  1.0
  F  F17  1  0.199  0.185  0.053  1.0
  F  F18  1  0.191  0.905  0.753  1.0
[/CIF]
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