The compound described by RuF3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. Ru(1,2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Ru(1,2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Ru(1,2) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1,2) atoms. is represented by the CIF card [CIF]
data_RuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.433
_cell_length_c   5.390
_cell_angle_alpha   54.783
_cell_angle_beta   54.235
_cell_angle_gamma   54.871
_symmetry_Int_Tables_number   1
_cell_volume   97.560
_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
  Ru  Ru0  1  0.500  0.500  0.500  1.0
  Ru  Ru1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.752  0.088  0.409  1.0
  F  F3  1  0.090  0.413  0.747  1.0
  F  F4  1  0.594  0.248  0.906  1.0
  F  F5  1  0.910  0.587  0.253  1.0
  F  F6  1  0.248  0.912  0.591  1.0
  F  F7  1  0.406  0.752  0.094  1.0
[/CIF]
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The compound described by RuF3 is Upper Bainite-like structured and crystallizes in the triclinic P-1 space group. Ru(1,2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form corner-sharing RuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-47°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to two equivalent Ru(1,2) atoms. In the second F site, F(2) is bonded in a bent 120 degrees geometry to two equivalent Ru(1,2) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent Ru(1,2) atoms. is represented by the CIF card [CIF]
data_RuF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.387
_cell_length_b   5.433
_cell_length_c   5.390
_cell_angle_alpha   54.783
_cell_angle_beta   54.235
_cell_angle_gamma   54.871
_symmetry_Int_Tables_number   1
_cell_volume   97.560
_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
  Ru  Ru0  1  0.500  0.500  0.500  1.0
  Ru  Ru1  1  0.000  0.000  0.000  1.0
  F  F2  1  0.752  0.088  0.409  1.0
  F  F3  1  0.090  0.413  0.747  1.0
  F  F4  1  0.594  0.248  0.906  1.0
  F  F5  1  0.910  0.587  0.253  1.0
  F  F6  1  0.248  0.912  0.591  1.0
  F  F7  1  0.406  0.752  0.094  1.0
[/CIF]
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