The material described by ZrTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the orthorhombic Immm space group. Zr(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZrF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_ZrTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.807
_cell_length_c   5.831
_cell_angle_alpha   59.860
_cell_angle_beta   59.880
_cell_angle_gamma   59.753
_symmetry_Int_Tables_number   1
_cell_volume   138.592
_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
  Zr  Zr0  1  1.000  1.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.248  0.752  0.755  1.0
  F  F3  1  0.752  0.248  0.754  1.0
  F  F4  1  0.752  0.248  0.245  1.0
  F  F5  1  0.246  0.247  0.753  1.0
  F  F6  1  0.754  0.753  0.247  1.0
  F  F7  1  0.248  0.752  0.246  1.0
[/CIF]
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The material described by ZrTiF6 is alpha Rhenium trioxide-derived structured and crystallizes in the orthorhombic Immm space group. Zr(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZrF6 octahedra that share corners with six equivalent Ti(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Ti(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form TiF6 octahedra that share corners with six equivalent Zr(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. In the second F site, F(2) is bonded in a linear geometry to one Zr(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_ZrTiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.810
_cell_length_b   5.807
_cell_length_c   5.831
_cell_angle_alpha   59.860
_cell_angle_beta   59.880
_cell_angle_gamma   59.753
_symmetry_Int_Tables_number   1
_cell_volume   138.592
_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
  Zr  Zr0  1  1.000  1.000  0.000  1.0
  Ti  Ti1  1  0.500  0.500  0.500  1.0
  F  F2  1  0.248  0.752  0.755  1.0
  F  F3  1  0.752  0.248  0.754  1.0
  F  F4  1  0.752  0.248  0.245  1.0
  F  F5  1  0.246  0.247  0.753  1.0
  F  F6  1  0.754  0.753  0.247  1.0
  F  F7  1  0.248  0.752  0.246  1.0
[/CIF]
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