The compound described by VAlF5 crystallizes in the orthorhombic Immm space group. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with six equivalent Al(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with six equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one Al(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_AlVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.306
_cell_length_b   5.306
_cell_length_c   5.306
_cell_angle_alpha   140.334
_cell_angle_beta   106.762
_cell_angle_gamma   86.665
_symmetry_Int_Tables_number   1
_cell_volume   87.979
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.795  0.500  0.295  1.0
  F  F3  1  0.205  0.500  0.705  1.0
  F  F4  1  0.268  0.268  0.000  1.0
  F  F5  1  0.732  0.732  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
[/CIF]
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The compound described by VAlF5 crystallizes in the orthorhombic Immm space group. V(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form VF6 octahedra that share corners with six equivalent Al(1)F6 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. Al(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form AlF6 octahedra that share corners with two equivalent Al(1)F6 octahedra and corners with six equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-54°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. In the second F site, F(2) is bonded in a linear geometry to one V(1) and one Al(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Al(1) atoms. In the fourth F site, F(1) is bonded in a trigonal planar geometry to two equivalent V(1) and one Al(1) atom. is represented by the CIF file [CIF]
data_AlVF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.306
_cell_length_b   5.306
_cell_length_c   5.306
_cell_angle_alpha   140.334
_cell_angle_beta   106.762
_cell_angle_gamma   86.665
_symmetry_Int_Tables_number   1
_cell_volume   87.979
_cell_formula_units_Z   1
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  0.500  0.000  1.0
  V  V1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.795  0.500  0.295  1.0
  F  F3  1  0.205  0.500  0.705  1.0
  F  F4  1  0.268  0.268  0.000  1.0
  F  F5  1  0.732  0.732  0.000  1.0
  F  F6  1  0.500  0.000  0.500  1.0
[/CIF]
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