The crystal structure described by RbTiZnOF5 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded to one F(2) and four equivalent F(1) atoms to form RbF5 square pyramids that share corners with four equivalent Ti(1)O2F4 octahedra and corners with six equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. Ti(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with four equivalent Zn(1)F6 octahedra, and corners with four equivalent Rb(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 23-48°. Zn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZnF6 octahedra that share corners with two equivalent Zn(1)F6 octahedra, corners with four equivalent Ti(1)O2F4 octahedra, and corners with six equivalent Rb(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Rb(1), one Ti(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_RbTiZnOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.426
_cell_length_b   7.426
_cell_length_c   7.426
_cell_angle_alpha   121.188
_cell_angle_beta   120.901
_cell_angle_gamma   88.200
_symmetry_Int_Tables_number   1
_cell_volume   284.795
_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
  Rb  Rb0  1  0.125  0.375  0.750  1.0
  Rb  Rb1  1  0.875  0.625  0.250  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.534  0.284  0.250  1.0
  O  O7  1  0.466  0.716  0.750  1.0
  F  F8  1  0.818  0.093  0.157  1.0
  F  F9  1  0.825  0.075  0.750  1.0
  F  F10  1  0.435  0.093  0.775  1.0
  F  F11  1  0.818  0.660  0.725  1.0
  F  F12  1  0.565  0.340  0.657  1.0
  F  F13  1  0.435  0.660  0.343  1.0
  F  F14  1  0.182  0.340  0.275  1.0
  F  F15  1  0.565  0.907  0.225  1.0
  F  F16  1  0.182  0.907  0.843  1.0
  F  F17  1  0.175  0.925  0.250  1.0
[/CIF]
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The crystal structure described by RbTiZnOF5 crystallizes in the orthorhombic Imma space group. Rb(1) is bonded to one F(2) and four equivalent F(1) atoms to form RbF5 square pyramids that share corners with four equivalent Ti(1)O2F4 octahedra and corners with six equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 64-69°. Ti(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with four equivalent Zn(1)F6 octahedra, and corners with four equivalent Rb(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 23-48°. Zn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZnF6 octahedra that share corners with two equivalent Zn(1)F6 octahedra, corners with four equivalent Ti(1)O2F4 octahedra, and corners with six equivalent Rb(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 47-48°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Rb(1), one Ti(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Rb(1) and two equivalent Zn(1) atoms. is represented by the CIF file [CIF]
data_RbTiZnOF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.426
_cell_length_b   7.426
_cell_length_c   7.426
_cell_angle_alpha   121.188
_cell_angle_beta   120.901
_cell_angle_gamma   88.200
_symmetry_Int_Tables_number   1
_cell_volume   284.795
_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
  Rb  Rb0  1  0.125  0.375  0.750  1.0
  Rb  Rb1  1  0.875  0.625  0.250  1.0
  Ti  Ti2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.500  0.500  0.500  1.0
  Zn  Zn4  1  0.000  0.000  0.000  1.0
  Zn  Zn5  1  0.500  0.000  0.500  1.0
  O  O6  1  0.534  0.284  0.250  1.0
  O  O7  1  0.466  0.716  0.750  1.0
  F  F8  1  0.818  0.093  0.157  1.0
  F  F9  1  0.825  0.075  0.750  1.0
  F  F10  1  0.435  0.093  0.775  1.0
  F  F11  1  0.818  0.660  0.725  1.0
  F  F12  1  0.565  0.340  0.657  1.0
  F  F13  1  0.435  0.660  0.343  1.0
  F  F14  1  0.182  0.340  0.275  1.0
  F  F15  1  0.565  0.907  0.225  1.0
  F  F16  1  0.182  0.907  0.843  1.0
  F  F17  1  0.175  0.925  0.250  1.0
[/CIF]
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