The structure described by LiAsH2OF6 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra and corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. As(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form AsF6 octahedra that share corners with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 38°. 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 two equivalent Li(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAsH2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.288
_cell_length_c   7.288
_cell_angle_alpha   128.753
_cell_angle_beta   117.295
_cell_angle_gamma   85.151
_symmetry_Int_Tables_number   1
_cell_volume   256.542
_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
  Li  Li0  1  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  As  As2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.678  0.191  0.513  1.0
  H  H5  1  0.322  0.809  0.487  1.0
  H  H6  1  0.178  0.664  0.487  1.0
  H  H7  1  0.822  0.336  0.513  1.0
  O  O8  1  0.750  0.169  0.419  1.0
  O  O9  1  0.250  0.831  0.581  1.0
  F  F10  1  0.533  0.258  0.725  1.0
  F  F11  1  0.467  0.742  0.275  1.0
  F  F12  1  0.033  0.308  0.275  1.0
  F  F13  1  0.967  0.692  0.725  1.0
  F  F14  1  0.950  0.077  0.796  1.0
  F  F15  1  0.719  0.923  0.873  1.0
  F  F16  1  0.450  0.654  0.873  1.0
  F  F17  1  0.219  0.346  0.796  1.0
  F  F18  1  0.050  0.923  0.204  1.0
  F  F19  1  0.281  0.077  0.127  1.0
  F  F20  1  0.550  0.346  0.127  1.0
  F  F21  1  0.781  0.654  0.204  1.0
[/CIF]
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The structure described by LiAsH2OF6 crystallizes in the orthorhombic Imma space group. Li(1) is bonded to two equivalent O(1) and four equivalent F(2) atoms to form LiO2F4 octahedra that share corners with two equivalent Li(1)O2F4 octahedra and corners with four equivalent As(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 38-59°. As(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form AsF6 octahedra that share corners with four equivalent Li(1)O2F4 octahedra. The corner-sharing octahedral tilt angles are 38°. 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 two equivalent Li(1) and two equivalent H(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one As(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one As(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAsH2OF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.288
_cell_length_b   7.288
_cell_length_c   7.288
_cell_angle_alpha   128.753
_cell_angle_beta   117.295
_cell_angle_gamma   85.151
_symmetry_Int_Tables_number   1
_cell_volume   256.542
_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
  Li  Li0  1  0.500  0.000  0.000  1.0
  Li  Li1  1  0.000  0.000  0.500  1.0
  As  As2  1  0.500  0.500  0.000  1.0
  As  As3  1  0.000  0.000  0.000  1.0
  H  H4  1  0.678  0.191  0.513  1.0
  H  H5  1  0.322  0.809  0.487  1.0
  H  H6  1  0.178  0.664  0.487  1.0
  H  H7  1  0.822  0.336  0.513  1.0
  O  O8  1  0.750  0.169  0.419  1.0
  O  O9  1  0.250  0.831  0.581  1.0
  F  F10  1  0.533  0.258  0.725  1.0
  F  F11  1  0.467  0.742  0.275  1.0
  F  F12  1  0.033  0.308  0.275  1.0
  F  F13  1  0.967  0.692  0.725  1.0
  F  F14  1  0.950  0.077  0.796  1.0
  F  F15  1  0.719  0.923  0.873  1.0
  F  F16  1  0.450  0.654  0.873  1.0
  F  F17  1  0.219  0.346  0.796  1.0
  F  F18  1  0.050  0.923  0.204  1.0
  F  F19  1  0.281  0.077  0.127  1.0
  F  F20  1  0.550  0.346  0.127  1.0
  F  F21  1  0.781  0.654  0.204  1.0
[/CIF]
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