The material described by Ba3RuBi2O9 is Orthorhombic Perovskite-derived structured and 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 12-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(9), two equivalent O(3), two equivalent O(8), and three equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(9), two equivalent O(3), two equivalent O(8), and three equivalent O(6) atoms. Ru(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. In the third Bi site, Bi(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Bi(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ru(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_Ba3Bi2RuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   10.669
_cell_length_c   8.672
_cell_angle_alpha   65.371
_cell_angle_beta   89.733
_cell_angle_gamma   72.917
_symmetry_Int_Tables_number   1
_cell_volume   486.634
_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
  Ba  Ba0  1  0.834  0.326  0.081  1.0
  Ba  Ba1  1  0.168  0.664  0.425  1.0
  Ba  Ba2  1  0.497  0.004  0.742  1.0
  Ba  Ba3  1  0.499  0.007  0.252  1.0
  Ba  Ba4  1  0.836  0.329  0.591  1.0
  Ba  Ba5  1  0.165  0.670  0.909  1.0
  Bi  Bi6  1  0.999  0.003  0.999  1.0
  Bi  Bi7  1  0.334  0.330  0.335  1.0
  Bi  Bi8  1  0.667  0.667  0.667  1.0
  Bi  Bi9  1  0.667  0.667  0.167  1.0
  Ru  Ru10  1  0.001  0.999  0.501  1.0
  Ru  Ru11  1  0.333  0.335  0.833  1.0
  O  O12  1  0.972  0.480  0.229  1.0
  O  O13  1  0.288  0.828  0.558  1.0
  O  O14  1  0.618  0.165  0.889  1.0
  O  O15  1  0.362  0.853  0.104  1.0
  O  O16  1  0.715  0.168  0.444  1.0
  O  O17  1  0.045  0.506  0.775  1.0
  O  O18  1  0.625  0.690  0.911  1.0
  O  O19  1  0.959  0.023  0.260  1.0
  O  O20  1  0.297  0.352  0.594  1.0
  O  O21  1  0.874  0.810  0.093  1.0
  O  O22  1  0.194  0.130  0.433  1.0
  O  O23  1  0.521  0.470  0.762  1.0
  O  O24  1  0.708  0.643  0.422  1.0
  O  O25  1  0.036  0.981  0.739  1.0
  O  O26  1  0.374  0.310  0.074  1.0
  O  O27  1  0.459  0.523  0.240  1.0
  O  O28  1  0.812  0.863  0.571  1.0
  O  O29  1  0.139  0.204  0.900  1.0
[/CIF]
.
The material described by Ba3RuBi2O9 is Orthorhombic Perovskite-derived structured and 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 12-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(9), two equivalent O(3), two equivalent O(8), and three equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to one O(1), one O(5), one O(6), two equivalent O(2), two equivalent O(4), two equivalent O(7), and two equivalent O(9) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one O(1), one O(2), one O(4), one O(7), one O(9), two equivalent O(3), two equivalent O(8), and three equivalent O(6) atoms. Ru(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(8), and one O(9) atom to form RuO6 octahedra that share corners with two equivalent Bi(2)O6 octahedra and corners with four equivalent Bi(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-21°. In the second Bi site, Bi(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(9) atoms to form BiO6 octahedra that share corners with two equivalent Bi(3)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-18°. In the third Bi site, Bi(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles range from 15-21°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Bi(1), and one Bi(3) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Bi(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Bi(2), and one Bi(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(2), three equivalent Ba(1), one Ru(1), and one Bi(1) atom. In the sixth O site, O(6) is bonded in a 6-coordinate geometry to one Ba(2), three equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Bi(1), and one Bi(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Ba(1), two equivalent Ba(3), one Ru(1), and one Bi(1) atom. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(3), two equivalent Ba(2), one Ru(1), and one Bi(2) atom. is represented by the CIF file [CIF]
data_Ba3Bi2RuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.110
_cell_length_b   10.669
_cell_length_c   8.672
_cell_angle_alpha   65.371
_cell_angle_beta   89.733
_cell_angle_gamma   72.917
_symmetry_Int_Tables_number   1
_cell_volume   486.634
_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
  Ba  Ba0  1  0.834  0.326  0.081  1.0
  Ba  Ba1  1  0.168  0.664  0.425  1.0
  Ba  Ba2  1  0.497  0.004  0.742  1.0
  Ba  Ba3  1  0.499  0.007  0.252  1.0
  Ba  Ba4  1  0.836  0.329  0.591  1.0
  Ba  Ba5  1  0.165  0.670  0.909  1.0
  Bi  Bi6  1  0.999  0.003  0.999  1.0
  Bi  Bi7  1  0.334  0.330  0.335  1.0
  Bi  Bi8  1  0.667  0.667  0.667  1.0
  Bi  Bi9  1  0.667  0.667  0.167  1.0
  Ru  Ru10  1  0.001  0.999  0.501  1.0
  Ru  Ru11  1  0.333  0.335  0.833  1.0
  O  O12  1  0.972  0.480  0.229  1.0
  O  O13  1  0.288  0.828  0.558  1.0
  O  O14  1  0.618  0.165  0.889  1.0
  O  O15  1  0.362  0.853  0.104  1.0
  O  O16  1  0.715  0.168  0.444  1.0
  O  O17  1  0.045  0.506  0.775  1.0
  O  O18  1  0.625  0.690  0.911  1.0
  O  O19  1  0.959  0.023  0.260  1.0
  O  O20  1  0.297  0.352  0.594  1.0
  O  O21  1  0.874  0.810  0.093  1.0
  O  O22  1  0.194  0.130  0.433  1.0
  O  O23  1  0.521  0.470  0.762  1.0
  O  O24  1  0.708  0.643  0.422  1.0
  O  O25  1  0.036  0.981  0.739  1.0
  O  O26  1  0.374  0.310  0.074  1.0
  O  O27  1  0.459  0.523  0.240  1.0
  O  O28  1  0.812  0.863  0.571  1.0
  O  O29  1  0.139  0.204  0.900  1.0
[/CIF]
.