The compound 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 distorted ZnO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 30-40°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like 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 bent 150 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 CIF file [CIF]
data_AlZnH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   7.453
_cell_length_c   7.453
_cell_angle_alpha   58.261
_cell_angle_beta   62.672
_cell_angle_gamma   62.672
_symmetry_Int_Tables_number   1
_cell_volume   274.989
_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  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.059  0.753  0.541  1.0
  H  H5  1  0.941  0.459  0.247  1.0
  H  H6  1  0.147  0.253  0.041  1.0
  H  H7  1  0.853  0.959  0.747  1.0
  H  H8  1  0.941  0.247  0.459  1.0
  H  H9  1  0.059  0.541  0.753  1.0
  H  H10  1  0.853  0.747  0.959  1.0
  H  H11  1  0.147  0.041  0.253  1.0
  O  O12  1  0.155  0.600  0.600  1.0
  O  O13  1  0.845  0.400  0.400  1.0
  O  O14  1  0.145  0.100  0.100  1.0
  O  O15  1  0.855  0.900  0.900  1.0
  F  F16  1  0.567  0.066  0.666  1.0
  F  F17  1  0.433  0.334  0.934  1.0
  F  F18  1  0.200  0.566  0.166  1.0
  F  F19  1  0.800  0.834  0.434  1.0
  F  F20  1  0.433  0.934  0.334  1.0
  F  F21  1  0.567  0.666  0.066  1.0
  F  F22  1  0.800  0.434  0.834  1.0
  F  F23  1  0.200  0.166  0.566  1.0
  F  F24  1  0.428  0.750  0.750  1.0
  F  F25  1  0.572  0.250  0.250  1.0
[/CIF]
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The compound 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 distorted ZnO2F4 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 30-40°. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a water-like 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 bent 150 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 CIF file [CIF]
data_AlZnH4O2F5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.843
_cell_length_b   7.453
_cell_length_c   7.453
_cell_angle_alpha   58.261
_cell_angle_beta   62.672
_cell_angle_gamma   62.672
_symmetry_Int_Tables_number   1
_cell_volume   274.989
_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  0.500  1.0
  Al  Al1  1  0.500  0.500  0.000  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.500  0.500  1.0
  H  H4  1  0.059  0.753  0.541  1.0
  H  H5  1  0.941  0.459  0.247  1.0
  H  H6  1  0.147  0.253  0.041  1.0
  H  H7  1  0.853  0.959  0.747  1.0
  H  H8  1  0.941  0.247  0.459  1.0
  H  H9  1  0.059  0.541  0.753  1.0
  H  H10  1  0.853  0.747  0.959  1.0
  H  H11  1  0.147  0.041  0.253  1.0
  O  O12  1  0.155  0.600  0.600  1.0
  O  O13  1  0.845  0.400  0.400  1.0
  O  O14  1  0.145  0.100  0.100  1.0
  O  O15  1  0.855  0.900  0.900  1.0
  F  F16  1  0.567  0.066  0.666  1.0
  F  F17  1  0.433  0.334  0.934  1.0
  F  F18  1  0.200  0.566  0.166  1.0
  F  F19  1  0.800  0.834  0.434  1.0
  F  F20  1  0.433  0.934  0.334  1.0
  F  F21  1  0.567  0.666  0.066  1.0
  F  F22  1  0.800  0.434  0.834  1.0
  F  F23  1  0.200  0.166  0.566  1.0
  F  F24  1  0.428  0.750  0.750  1.0
  F  F25  1  0.572  0.250  0.250  1.0
[/CIF]
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