The compound described by VMnH4O2F5 crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. Mn(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to one Mn(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   7.555
_cell_length_c   7.556
_cell_angle_alpha   61.989
_cell_angle_beta   116.057
_cell_angle_gamma   116.046
_symmetry_Int_Tables_number   1
_cell_volume   287.279
_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
  Mn  Mn0  1  1.000  1.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.476  0.193  0.991  1.0
  H  H5  1  0.792  0.307  0.509  1.0
  H  H6  1  0.524  0.009  0.807  1.0
  H  H7  1  0.208  0.491  0.693  1.0
  H  H8  1  0.524  0.807  0.009  1.0
  H  H9  1  0.208  0.693  0.491  1.0
  H  H10  1  0.476  0.991  0.193  1.0
  H  H11  1  0.792  0.509  0.307  1.0
  O  O12  1  0.374  0.071  0.071  1.0
  O  O13  1  0.732  0.429  0.429  1.0
  O  O14  1  0.626  0.929  0.929  1.0
  O  O15  1  0.268  0.571  0.571  1.0
  F  F16  1  0.929  0.250  0.250  1.0
  F  F17  1  0.071  0.750  0.750  1.0
  F  F18  1  0.077  0.912  0.337  1.0
  F  F19  1  0.328  0.588  0.163  1.0
  F  F20  1  0.923  0.663  0.088  1.0
  F  F21  1  0.672  0.837  0.412  1.0
  F  F22  1  0.923  0.088  0.663  1.0
  F  F23  1  0.672  0.412  0.837  1.0
  F  F24  1  0.077  0.337  0.912  1.0
  F  F25  1  0.328  0.163  0.588  1.0
[/CIF]
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The compound described by VMnH4O2F5 crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form VF6 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-48°. Mn(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form MnO2F4 octahedra that share corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted water-like geometry to one Mn(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one V(1) and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnVH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.637
_cell_length_b   7.555
_cell_length_c   7.556
_cell_angle_alpha   61.989
_cell_angle_beta   116.057
_cell_angle_gamma   116.046
_symmetry_Int_Tables_number   1
_cell_volume   287.279
_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
  Mn  Mn0  1  1.000  1.000  0.000  1.0
  Mn  Mn1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.000  0.500  0.000  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  H  H4  1  0.476  0.193  0.991  1.0
  H  H5  1  0.792  0.307  0.509  1.0
  H  H6  1  0.524  0.009  0.807  1.0
  H  H7  1  0.208  0.491  0.693  1.0
  H  H8  1  0.524  0.807  0.009  1.0
  H  H9  1  0.208  0.693  0.491  1.0
  H  H10  1  0.476  0.991  0.193  1.0
  H  H11  1  0.792  0.509  0.307  1.0
  O  O12  1  0.374  0.071  0.071  1.0
  O  O13  1  0.732  0.429  0.429  1.0
  O  O14  1  0.626  0.929  0.929  1.0
  O  O15  1  0.268  0.571  0.571  1.0
  F  F16  1  0.929  0.250  0.250  1.0
  F  F17  1  0.071  0.750  0.750  1.0
  F  F18  1  0.077  0.912  0.337  1.0
  F  F19  1  0.328  0.588  0.163  1.0
  F  F20  1  0.923  0.663  0.088  1.0
  F  F21  1  0.672  0.837  0.412  1.0
  F  F22  1  0.923  0.088  0.663  1.0
  F  F23  1  0.672  0.412  0.837  1.0
  F  F24  1  0.077  0.337  0.912  1.0
  F  F25  1  0.328  0.163  0.588  1.0
[/CIF]
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