The structure described by ZnAlH4O2F5 crystallizes in the orthorhombic Imma space group. Zn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form ZnO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlZnH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.207
_cell_length_b   7.207
_cell_length_c   7.207
_cell_angle_alpha   126.444
_cell_angle_beta   119.272
_cell_angle_gamma   85.239
_symmetry_Int_Tables_number   1
_cell_volume   250.972
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.199  0.215  0.233  1.0
  H  H5  1  0.301  0.534  0.016  1.0
  H  H6  1  0.018  0.785  0.984  1.0
  H  H7  1  0.482  0.466  0.767  1.0
  H  H8  1  0.982  0.215  0.016  1.0
  H  H9  1  0.699  0.466  0.984  1.0
  H  H10  1  0.801  0.785  0.767  1.0
  H  H11  1  0.518  0.534  0.233  1.0
  O  O12  1  0.070  0.278  0.209  1.0
  O  O13  1  0.570  0.361  0.791  1.0
  O  O14  1  0.430  0.639  0.209  1.0
  O  O15  1  0.930  0.722  0.791  1.0
  F  F16  1  0.588  0.927  0.772  1.0
  F  F17  1  0.250  0.058  0.808  1.0
  F  F18  1  0.750  0.942  0.192  1.0
  F  F19  1  0.655  0.316  0.228  1.0
  F  F20  1  0.345  0.684  0.772  1.0
  F  F21  1  0.912  0.684  0.339  1.0
  F  F22  1  0.088  0.316  0.661  1.0
  F  F23  1  0.412  0.073  0.228  1.0
  F  F24  1  0.845  0.073  0.661  1.0
  F  F25  1  0.155  0.927  0.339  1.0
[/CIF]
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The structure described by ZnAlH4O2F5 crystallizes in the orthorhombic Imma space group. Zn(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form ZnO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 48°. Al(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with four equivalent Zn(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-48°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Zn(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one Al(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent Al(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlZnH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.207
_cell_length_b   7.207
_cell_length_c   7.207
_cell_angle_alpha   126.444
_cell_angle_beta   119.272
_cell_angle_gamma   85.239
_symmetry_Int_Tables_number   1
_cell_volume   250.972
_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
  Al  Al0  1  0.500  0.000  0.000  1.0
  Al  Al1  1  0.000  0.000  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.500  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.199  0.215  0.233  1.0
  H  H5  1  0.301  0.534  0.016  1.0
  H  H6  1  0.018  0.785  0.984  1.0
  H  H7  1  0.482  0.466  0.767  1.0
  H  H8  1  0.982  0.215  0.016  1.0
  H  H9  1  0.699  0.466  0.984  1.0
  H  H10  1  0.801  0.785  0.767  1.0
  H  H11  1  0.518  0.534  0.233  1.0
  O  O12  1  0.070  0.278  0.209  1.0
  O  O13  1  0.570  0.361  0.791  1.0
  O  O14  1  0.430  0.639  0.209  1.0
  O  O15  1  0.930  0.722  0.791  1.0
  F  F16  1  0.588  0.927  0.772  1.0
  F  F17  1  0.250  0.058  0.808  1.0
  F  F18  1  0.750  0.942  0.192  1.0
  F  F19  1  0.655  0.316  0.228  1.0
  F  F20  1  0.345  0.684  0.772  1.0
  F  F21  1  0.912  0.684  0.339  1.0
  F  F22  1  0.088  0.316  0.661  1.0
  F  F23  1  0.412  0.073  0.228  1.0
  F  F24  1  0.845  0.073  0.661  1.0
  F  F25  1  0.155  0.927  0.339  1.0
[/CIF]
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