The compound described by MgMnF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form distorted MgF6 octahedra that share corners with five equivalent Mn(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with five equivalent Mg(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   5.096
_cell_length_c   7.812
_cell_angle_alpha   70.024
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.718
_cell_formula_units_Z   4
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  0.011  0.523  0.772  1.0
  Mg  Mg1  1  0.511  0.477  0.728  1.0
  Mg  Mg2  1  0.989  0.477  0.228  1.0
  Mg  Mg3  1  0.489  0.523  0.272  1.0
  Mn  Mn4  1  0.756  0.112  0.614  1.0
  Mn  Mn5  1  0.256  0.888  0.886  1.0
  Mn  Mn6  1  0.244  0.888  0.386  1.0
  Mn  Mn7  1  0.744  0.112  0.114  1.0
  F  F8  1  0.884  0.406  0.608  1.0
  F  F9  1  0.384  0.594  0.892  1.0
  F  F10  1  0.116  0.594  0.392  1.0
  F  F11  1  0.616  0.406  0.108  1.0
  F  F12  1  0.608  0.366  0.501  1.0
  F  F13  1  0.108  0.634  0.999  1.0
  F  F14  1  0.392  0.634  0.499  1.0
  F  F15  1  0.892  0.366  0.001  1.0
  F  F16  1  0.394  0.139  0.774  1.0
  F  F17  1  0.894  0.861  0.726  1.0
  F  F18  1  0.606  0.861  0.226  1.0
  F  F19  1  0.106  0.139  0.274  1.0
  F  F20  1  0.131  0.188  0.854  1.0
  F  F21  1  0.631  0.812  0.646  1.0
  F  F22  1  0.869  0.812  0.146  1.0
  F  F23  1  0.369  0.188  0.354  1.0
  F  F24  1  0.664  0.200  0.844  1.0
  F  F25  1  0.164  0.800  0.656  1.0
  F  F26  1  0.336  0.800  0.156  1.0
  F  F27  1  0.836  0.200  0.344  1.0
[/CIF]
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The compound described by MgMnF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form distorted MgF6 octahedra that share corners with five equivalent Mn(1)F6 octahedra,  an edgeedge with one Mg(1)F6 octahedra, and  an edgeedge with one Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with five equivalent Mg(1)F6 octahedra, and  an edgeedge with one Mg(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_MgMnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.589
_cell_length_b   5.096
_cell_length_c   7.812
_cell_angle_alpha   70.024
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   358.718
_cell_formula_units_Z   4
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  0.011  0.523  0.772  1.0
  Mg  Mg1  1  0.511  0.477  0.728  1.0
  Mg  Mg2  1  0.989  0.477  0.228  1.0
  Mg  Mg3  1  0.489  0.523  0.272  1.0
  Mn  Mn4  1  0.756  0.112  0.614  1.0
  Mn  Mn5  1  0.256  0.888  0.886  1.0
  Mn  Mn6  1  0.244  0.888  0.386  1.0
  Mn  Mn7  1  0.744  0.112  0.114  1.0
  F  F8  1  0.884  0.406  0.608  1.0
  F  F9  1  0.384  0.594  0.892  1.0
  F  F10  1  0.116  0.594  0.392  1.0
  F  F11  1  0.616  0.406  0.108  1.0
  F  F12  1  0.608  0.366  0.501  1.0
  F  F13  1  0.108  0.634  0.999  1.0
  F  F14  1  0.392  0.634  0.499  1.0
  F  F15  1  0.892  0.366  0.001  1.0
  F  F16  1  0.394  0.139  0.774  1.0
  F  F17  1  0.894  0.861  0.726  1.0
  F  F18  1  0.606  0.861  0.226  1.0
  F  F19  1  0.106  0.139  0.274  1.0
  F  F20  1  0.131  0.188  0.854  1.0
  F  F21  1  0.631  0.812  0.646  1.0
  F  F22  1  0.869  0.812  0.146  1.0
  F  F23  1  0.369  0.188  0.354  1.0
  F  F24  1  0.664  0.200  0.844  1.0
  F  F25  1  0.164  0.800  0.656  1.0
  F  F26  1  0.336  0.800  0.156  1.0
  F  F27  1  0.836  0.200  0.344  1.0
[/CIF]
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