The structure described by MnZnF5 crystallizes in the monoclinic P2_1/c space group. 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 and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. Zn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 13-69°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_MnZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.657
_cell_length_b   5.165
_cell_length_c   7.849
_cell_angle_alpha   68.488
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.225
_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
  Mn  Mn0  1  0.752  0.111  0.602  1.0
  Mn  Mn1  1  0.252  0.889  0.898  1.0
  Mn  Mn2  1  0.248  0.889  0.398  1.0
  Mn  Mn3  1  0.748  0.111  0.102  1.0
  Zn  Zn4  1  0.009  0.525  0.747  1.0
  Zn  Zn5  1  0.509  0.475  0.753  1.0
  Zn  Zn6  1  0.991  0.475  0.253  1.0
  Zn  Zn7  1  0.491  0.525  0.247  1.0
  F  F8  1  0.882  0.409  0.582  1.0
  F  F9  1  0.382  0.591  0.918  1.0
  F  F10  1  0.118  0.591  0.418  1.0
  F  F11  1  0.618  0.409  0.082  1.0
  F  F12  1  0.608  0.358  0.484  1.0
  F  F13  1  0.108  0.642  0.016  1.0
  F  F14  1  0.392  0.642  0.516  1.0
  F  F15  1  0.892  0.358  0.984  1.0
  F  F16  1  0.395  0.134  0.789  1.0
  F  F17  1  0.895  0.866  0.711  1.0
  F  F18  1  0.605  0.866  0.211  1.0
  F  F19  1  0.105  0.134  0.289  1.0
  F  F20  1  0.132  0.196  0.854  1.0
  F  F21  1  0.632  0.804  0.646  1.0
  F  F22  1  0.868  0.804  0.146  1.0
  F  F23  1  0.368  0.196  0.354  1.0
  F  F24  1  0.668  0.191  0.833  1.0
  F  F25  1  0.168  0.809  0.667  1.0
  F  F26  1  0.332  0.809  0.167  1.0
  F  F27  1  0.832  0.191  0.333  1.0
[/CIF]
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The structure described by MnZnF5 crystallizes in the monoclinic P2_1/c space group. 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 and corners with six equivalent Zn(1)F5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 48°. Zn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and one F(5) atom to form distorted ZnF5 trigonal bipyramids that share corners with six equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 13-69°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mn(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mn(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to two equivalent Mn(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_MnZnF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.657
_cell_length_b   5.165
_cell_length_c   7.849
_cell_angle_alpha   68.488
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.225
_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
  Mn  Mn0  1  0.752  0.111  0.602  1.0
  Mn  Mn1  1  0.252  0.889  0.898  1.0
  Mn  Mn2  1  0.248  0.889  0.398  1.0
  Mn  Mn3  1  0.748  0.111  0.102  1.0
  Zn  Zn4  1  0.009  0.525  0.747  1.0
  Zn  Zn5  1  0.509  0.475  0.753  1.0
  Zn  Zn6  1  0.991  0.475  0.253  1.0
  Zn  Zn7  1  0.491  0.525  0.247  1.0
  F  F8  1  0.882  0.409  0.582  1.0
  F  F9  1  0.382  0.591  0.918  1.0
  F  F10  1  0.118  0.591  0.418  1.0
  F  F11  1  0.618  0.409  0.082  1.0
  F  F12  1  0.608  0.358  0.484  1.0
  F  F13  1  0.108  0.642  0.016  1.0
  F  F14  1  0.392  0.642  0.516  1.0
  F  F15  1  0.892  0.358  0.984  1.0
  F  F16  1  0.395  0.134  0.789  1.0
  F  F17  1  0.895  0.866  0.711  1.0
  F  F18  1  0.605  0.866  0.211  1.0
  F  F19  1  0.105  0.134  0.289  1.0
  F  F20  1  0.132  0.196  0.854  1.0
  F  F21  1  0.632  0.804  0.646  1.0
  F  F22  1  0.868  0.804  0.146  1.0
  F  F23  1  0.368  0.196  0.354  1.0
  F  F24  1  0.668  0.191  0.833  1.0
  F  F25  1  0.168  0.809  0.667  1.0
  F  F26  1  0.332  0.809  0.167  1.0
  F  F27  1  0.832  0.191  0.333  1.0
[/CIF]
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