The compound described by MgMnF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(7), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second Mg site, Mg(2) is bonded to one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 4-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Mg(2) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   5.300
_cell_length_c   7.682
_cell_angle_alpha   99.568
_cell_angle_beta   107.127
_cell_angle_gamma   110.197
_symmetry_Int_Tables_number   1
_cell_volume   184.190
_cell_formula_units_Z   2
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  0.277  0.523  0.753  1.0
  Mg  Mg1  1  0.726  0.479  0.245  1.0
  Mn  Mn2  1  0.002  0.001  0.999  1.0
  Mn  Mn3  1  0.502  0.001  0.500  1.0
  F  F4  1  0.401  0.149  0.250  1.0
  F  F5  1  0.602  0.851  0.748  1.0
  F  F6  1  0.598  0.740  0.370  1.0
  F  F7  1  0.861  0.222  0.124  1.0
  F  F8  1  0.773  0.687  0.057  1.0
  F  F9  1  0.127  0.712  0.437  1.0
  F  F10  1  0.234  0.317  0.944  1.0
  F  F11  1  0.877  0.288  0.563  1.0
  F  F12  1  0.135  0.776  0.871  1.0
  F  F13  1  0.407  0.262  0.631  1.0
[/CIF]
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The compound described by MgMnF5 crystallizes in the triclinic P1 space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to one F(10), one F(2), one F(7), one F(8), and one F(9) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 5-67°. In the second Mg site, Mg(2) is bonded to one F(1), one F(3), one F(4), one F(5), and one F(6) atom to form MgF5 trigonal bipyramids that share corners with three equivalent Mn(1)F6 octahedra and corners with three equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 4-67°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(1), one F(2), one F(4), one F(5), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. In the second Mn site, Mn(2) is bonded to one F(1), one F(10), one F(2), one F(3), one F(6), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with three equivalent Mg(1)F5 trigonal bipyramids, and corners with three equivalent Mg(2)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2), one Mn(1), and one Mn(2) atom. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a linear geometry to one Mg(2) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(2) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(1) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one Mg(2) and one Mn(2) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(1) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mn(2) atom. In the ninth F site, F(9) is bonded in a linear geometry to one Mg(1) and one Mn(1) atom. In the tenth F site, F(10) is bonded in a linear geometry to one Mg(1) and one Mn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.286
_cell_length_b   5.300
_cell_length_c   7.682
_cell_angle_alpha   99.568
_cell_angle_beta   107.127
_cell_angle_gamma   110.197
_symmetry_Int_Tables_number   1
_cell_volume   184.190
_cell_formula_units_Z   2
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  0.277  0.523  0.753  1.0
  Mg  Mg1  1  0.726  0.479  0.245  1.0
  Mn  Mn2  1  0.002  0.001  0.999  1.0
  Mn  Mn3  1  0.502  0.001  0.500  1.0
  F  F4  1  0.401  0.149  0.250  1.0
  F  F5  1  0.602  0.851  0.748  1.0
  F  F6  1  0.598  0.740  0.370  1.0
  F  F7  1  0.861  0.222  0.124  1.0
  F  F8  1  0.773  0.687  0.057  1.0
  F  F9  1  0.127  0.712  0.437  1.0
  F  F10  1  0.234  0.317  0.944  1.0
  F  F11  1  0.877  0.288  0.563  1.0
  F  F12  1  0.135  0.776  0.871  1.0
  F  F13  1  0.407  0.262  0.631  1.0
[/CIF]
.