The structure described by Ba3RuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Ru(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. is represented by the CIF file [CIF]
data_Ba3RuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.355
_cell_length_b   8.193
_cell_length_c   6.867
_cell_angle_alpha   131.121
_cell_angle_beta   76.952
_cell_angle_gamma   100.206
_symmetry_Int_Tables_number   1
_cell_volume   262.191
_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
  Ba  Ba0  1  0.500  0.000  0.000  1.0
  Ba  Ba1  1  0.000  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.767  0.134  0.356  1.0
  F  F5  1  0.233  0.866  0.644  1.0
  F  F6  1  0.722  0.724  0.508  1.0
  F  F7  1  0.278  0.276  0.492  1.0
  F  F8  1  0.135  0.767  0.991  1.0
  F  F9  1  0.865  0.233  0.009  1.0
[/CIF]
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The structure described by Ba3RuF6 crystallizes in the triclinic P-1 space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. In the third Ba site, Ba(3) is bonded in a distorted octahedral geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Ru(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(3) atoms. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Ba(1), one Ba(2), and one Ba(3) atom. In the third F site, F(3) is bonded to one Ba(1), one Ba(2), one Ba(3), and one Ru(1) atom to form a mixture of distorted corner, edge, and face-sharing FBa3Ru trigonal pyramids. is represented by the CIF file [CIF]
data_Ba3RuF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.355
_cell_length_b   8.193
_cell_length_c   6.867
_cell_angle_alpha   131.121
_cell_angle_beta   76.952
_cell_angle_gamma   100.206
_symmetry_Int_Tables_number   1
_cell_volume   262.191
_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
  Ba  Ba0  1  0.500  0.000  0.000  1.0
  Ba  Ba1  1  0.000  0.500  0.500  1.0
  Ba  Ba2  1  0.000  0.000  0.500  1.0
  Ru  Ru3  1  0.000  0.000  0.000  1.0
  F  F4  1  0.767  0.134  0.356  1.0
  F  F5  1  0.233  0.866  0.644  1.0
  F  F6  1  0.722  0.724  0.508  1.0
  F  F7  1  0.278  0.276  0.492  1.0
  F  F8  1  0.135  0.767  0.991  1.0
  F  F9  1  0.865  0.233  0.009  1.0
[/CIF]
.