The material described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and faces with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(6), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one F(1), and one F(3) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form OMgMn3 trigonal pyramids that share corners with two equivalent F(3)MgMn3 trigonal pyramids and  an edgeedge with one F(3)MgMn3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form FMgMn3 trigonal pyramids that share corners with two equivalent O(3)MgMn3 trigonal pyramids and  an edgeedge with one O(3)MgMn3 trigonal pyramid. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   5.063
_cell_length_c   9.201
_cell_angle_alpha   92.342
_cell_angle_beta   87.893
_cell_angle_gamma   98.430
_symmetry_Int_Tables_number   1
_cell_volume   229.405
_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  0.005  0.511  0.336  1.0
  Mn  Mn1  1  0.984  0.003  0.004  1.0
  Mn  Mn2  1  0.033  0.022  0.335  1.0
  Mn  Mn3  1  0.002  0.984  0.666  1.0
  Mn  Mn4  1  0.491  0.497  0.837  1.0
  Mn  Mn5  1  0.528  0.446  0.150  1.0
  Mn  Mn6  1  0.468  0.519  0.522  1.0
  O  O7  1  0.149  0.812  0.485  1.0
  O  O8  1  0.314  0.274  0.994  1.0
  O  O9  1  0.325  0.323  0.341  1.0
  O  O10  1  0.300  0.294  0.672  1.0
  O  O11  1  0.686  0.690  0.002  1.0
  O  O12  1  0.671  0.712  0.675  1.0
  O  O13  1  0.860  0.202  0.188  1.0
  F  F14  1  0.167  0.755  0.182  1.0
  F  F15  1  0.164  0.802  0.843  1.0
  F  F16  1  0.694  0.713  0.334  1.0
  F  F17  1  0.824  0.261  0.487  1.0
  F  F18  1  0.822  0.179  0.826  1.0
[/CIF]
.
The material described by MgMn6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(4) atom to form MgO3F3 octahedra that share corners with two equivalent Mn(1)O3F3 octahedra, corners with two equivalent Mn(3)O3F3 octahedra, edges with two equivalent Mn(6)O4F2 octahedra, and faces with two equivalent Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(5), one O(7), one F(1), one F(2), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra,  an edgeedge with one Mn(2)O3F3 octahedra, and  an edgeedge with one Mn(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-52°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(7), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra,  an edgeedge with one Mn(3)O3F3 octahedra, and faces with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-55°. In the third Mn site, Mn(3) is bonded to one O(1), one O(4), one O(6), one F(2), one F(4), and one F(5) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(6)O4F2 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 44-64°. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(5) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(1)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra, and  an edgeedge with one Mn(6)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(7), one F(1), and one F(3) atom. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(3), one O(4), one O(6), one F(3), and one F(4) atom to form distorted MnO4F2 octahedra that share corners with four equivalent Mn(2)O3F3 octahedra, corners with four equivalent Mn(3)O3F3 octahedra,  an edgeedge with one Mn(4)O4F2 octahedra, and edges with two equivalent Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 34-64°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form OMgMn3 trigonal pyramids that share corners with two equivalent F(3)MgMn3 trigonal pyramids and  an edgeedge with one F(3)MgMn3 trigonal pyramid. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(5) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the third F site, F(3) is bonded to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom to form FMgMn3 trigonal pyramids that share corners with two equivalent O(3)MgMn3 trigonal pyramids and  an edgeedge with one O(3)MgMn3 trigonal pyramid. In the fourth F site, F(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mn(2), one Mn(3), and one Mn(6) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. is represented by the CIF card [CIF]
data_MgMn6O7F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.984
_cell_length_b   5.063
_cell_length_c   9.201
_cell_angle_alpha   92.342
_cell_angle_beta   87.893
_cell_angle_gamma   98.430
_symmetry_Int_Tables_number   1
_cell_volume   229.405
_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  0.005  0.511  0.336  1.0
  Mn  Mn1  1  0.984  0.003  0.004  1.0
  Mn  Mn2  1  0.033  0.022  0.335  1.0
  Mn  Mn3  1  0.002  0.984  0.666  1.0
  Mn  Mn4  1  0.491  0.497  0.837  1.0
  Mn  Mn5  1  0.528  0.446  0.150  1.0
  Mn  Mn6  1  0.468  0.519  0.522  1.0
  O  O7  1  0.149  0.812  0.485  1.0
  O  O8  1  0.314  0.274  0.994  1.0
  O  O9  1  0.325  0.323  0.341  1.0
  O  O10  1  0.300  0.294  0.672  1.0
  O  O11  1  0.686  0.690  0.002  1.0
  O  O12  1  0.671  0.712  0.675  1.0
  O  O13  1  0.860  0.202  0.188  1.0
  F  F14  1  0.167  0.755  0.182  1.0
  F  F15  1  0.164  0.802  0.843  1.0
  F  F16  1  0.694  0.713  0.334  1.0
  F  F17  1  0.824  0.261  0.487  1.0
  F  F18  1  0.822  0.179  0.826  1.0
[/CIF]
.