The material described by MnGaH4O2F5 crystallizes in the orthorhombic Imma space group. 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 Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ga(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form GaF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. 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 Ga(1) atoms. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_MnGaH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.665
_cell_length_b   7.471
_cell_length_c   7.471
_cell_angle_alpha   61.500
_cell_angle_beta   116.498
_cell_angle_gamma   116.497
_symmetry_Int_Tables_number   1
_cell_volume   279.431
_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  0.500  1.000  0.000  1.0
  Mn  Mn1  1  1.000  0.500  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.215  0.994  0.200  1.0
  H  H5  1  0.521  0.506  0.300  1.0
  H  H6  1  0.785  0.800  0.006  1.0
  H  H7  1  0.479  0.700  0.494  1.0
  H  H8  1  0.785  0.006  0.800  1.0
  H  H9  1  0.479  0.494  0.700  1.0
  H  H10  1  0.215  0.200  0.994  1.0
  H  H11  1  0.521  0.300  0.506  1.0
  O  O12  1  0.723  0.923  0.923  1.0
  O  O13  1  0.377  0.577  0.577  1.0
  O  O14  1  0.277  0.077  0.077  1.0
  O  O15  1  0.623  0.423  0.423  1.0
  F  F16  1  0.065  0.250  0.250  1.0
  F  F17  1  0.935  0.750  0.750  1.0
  F  F18  1  0.321  0.089  0.659  1.0
  F  F19  1  0.074  0.411  0.841  1.0
  F  F20  1  0.679  0.341  0.911  1.0
  F  F21  1  0.926  0.159  0.589  1.0
  F  F22  1  0.679  0.911  0.341  1.0
  F  F23  1  0.926  0.589  0.159  1.0
  F  F24  1  0.321  0.659  0.089  1.0
  F  F25  1  0.074  0.841  0.411  1.0
[/CIF]
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The material described by MnGaH4O2F5 crystallizes in the orthorhombic Imma space group. 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 Ga(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Ga(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form GaF6 octahedra that share corners with two equivalent Ga(1)F6 octahedra and corners with four equivalent Mn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. 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 Ga(1) atoms. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Ga(1) atom. is represented by the CIF file [CIF]
data_MnGaH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.665
_cell_length_b   7.471
_cell_length_c   7.471
_cell_angle_alpha   61.500
_cell_angle_beta   116.498
_cell_angle_gamma   116.497
_symmetry_Int_Tables_number   1
_cell_volume   279.431
_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  0.500  1.000  0.000  1.0
  Mn  Mn1  1  1.000  0.500  0.500  1.0
  Ga  Ga2  1  0.000  0.000  0.500  1.0
  Ga  Ga3  1  0.000  0.500  0.000  1.0
  H  H4  1  0.215  0.994  0.200  1.0
  H  H5  1  0.521  0.506  0.300  1.0
  H  H6  1  0.785  0.800  0.006  1.0
  H  H7  1  0.479  0.700  0.494  1.0
  H  H8  1  0.785  0.006  0.800  1.0
  H  H9  1  0.479  0.494  0.700  1.0
  H  H10  1  0.215  0.200  0.994  1.0
  H  H11  1  0.521  0.300  0.506  1.0
  O  O12  1  0.723  0.923  0.923  1.0
  O  O13  1  0.377  0.577  0.577  1.0
  O  O14  1  0.277  0.077  0.077  1.0
  O  O15  1  0.623  0.423  0.423  1.0
  F  F16  1  0.065  0.250  0.250  1.0
  F  F17  1  0.935  0.750  0.750  1.0
  F  F18  1  0.321  0.089  0.659  1.0
  F  F19  1  0.074  0.411  0.841  1.0
  F  F20  1  0.679  0.341  0.911  1.0
  F  F21  1  0.926  0.159  0.589  1.0
  F  F22  1  0.679  0.911  0.341  1.0
  F  F23  1  0.926  0.589  0.159  1.0
  F  F24  1  0.321  0.659  0.089  1.0
  F  F25  1  0.074  0.841  0.411  1.0
[/CIF]
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