The crystal structure described by Ba4Ru3O10 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing RuO6 octahedra. In the second Ru site, Ru(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and face-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_Ba4Ru3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.304
_cell_length_b   5.857
_cell_length_c   7.320
_cell_angle_alpha   66.793
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.302
_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  0.640  0.966  0.071  1.0
  Ba  Ba1  1  0.140  0.534  0.929  1.0
  Ba  Ba2  1  0.360  0.034  0.929  1.0
  Ba  Ba3  1  0.860  0.466  0.071  1.0
  Ba  Ba4  1  0.111  0.240  0.518  1.0
  Ba  Ba5  1  0.611  0.260  0.482  1.0
  Ba  Ba6  1  0.889  0.760  0.482  1.0
  Ba  Ba7  1  0.389  0.740  0.518  1.0
  Ru  Ru8  1  0.500  0.500  0.000  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  Ru  Ru10  1  0.351  0.374  0.247  1.0
  Ru  Ru11  1  0.851  0.126  0.753  1.0
  Ru  Ru12  1  0.649  0.626  0.753  1.0
  Ru  Ru13  1  0.149  0.874  0.247  1.0
  O  O14  1  0.651  0.470  0.071  1.0
  O  O15  1  0.151  0.030  0.929  1.0
  O  O16  1  0.349  0.530  0.929  1.0
  O  O17  1  0.849  0.970  0.071  1.0
  O  O18  1  0.537  0.376  0.782  1.0
  O  O19  1  0.037  0.124  0.218  1.0
  O  O20  1  0.463  0.624  0.218  1.0
  O  O21  1  0.963  0.876  0.782  1.0
  O  O22  1  0.534  0.839  0.781  1.0
  O  O23  1  0.034  0.661  0.219  1.0
  O  O24  1  0.466  0.161  0.219  1.0
  O  O25  1  0.966  0.339  0.781  1.0
  O  O26  1  0.647  0.768  0.463  1.0
  O  O27  1  0.147  0.732  0.537  1.0
  O  O28  1  0.353  0.232  0.537  1.0
  O  O29  1  0.853  0.268  0.463  1.0
  O  O30  1  0.753  0.379  0.758  1.0
  O  O31  1  0.253  0.121  0.242  1.0
  O  O32  1  0.247  0.621  0.242  1.0
  O  O33  1  0.747  0.879  0.758  1.0
[/CIF]
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The crystal structure described by Ba4Ru3O10 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), two equivalent O(5), and three equivalent O(4) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form face-sharing RuO6 octahedra. In the second Ru site, Ru(2) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form a mixture of corner and face-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 4°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ba(2), three equivalent Ba(1), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the second O site, O(2) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the third O site, O(3) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Ru(1), and one Ru(2) atom to form a mixture of distorted corner, edge, and face-sharing OBa4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-63°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), three equivalent Ba(2), and one Ru(2) atom. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ba(1), two equivalent Ba(2), and two equivalent Ru(2) atoms. is represented by the CIF card [CIF]
data_Ba4Ru3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.304
_cell_length_b   5.857
_cell_length_c   7.320
_cell_angle_alpha   66.793
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   524.302
_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  0.640  0.966  0.071  1.0
  Ba  Ba1  1  0.140  0.534  0.929  1.0
  Ba  Ba2  1  0.360  0.034  0.929  1.0
  Ba  Ba3  1  0.860  0.466  0.071  1.0
  Ba  Ba4  1  0.111  0.240  0.518  1.0
  Ba  Ba5  1  0.611  0.260  0.482  1.0
  Ba  Ba6  1  0.889  0.760  0.482  1.0
  Ba  Ba7  1  0.389  0.740  0.518  1.0
  Ru  Ru8  1  0.500  0.500  0.000  1.0
  Ru  Ru9  1  0.000  0.000  0.000  1.0
  Ru  Ru10  1  0.351  0.374  0.247  1.0
  Ru  Ru11  1  0.851  0.126  0.753  1.0
  Ru  Ru12  1  0.649  0.626  0.753  1.0
  Ru  Ru13  1  0.149  0.874  0.247  1.0
  O  O14  1  0.651  0.470  0.071  1.0
  O  O15  1  0.151  0.030  0.929  1.0
  O  O16  1  0.349  0.530  0.929  1.0
  O  O17  1  0.849  0.970  0.071  1.0
  O  O18  1  0.537  0.376  0.782  1.0
  O  O19  1  0.037  0.124  0.218  1.0
  O  O20  1  0.463  0.624  0.218  1.0
  O  O21  1  0.963  0.876  0.782  1.0
  O  O22  1  0.534  0.839  0.781  1.0
  O  O23  1  0.034  0.661  0.219  1.0
  O  O24  1  0.466  0.161  0.219  1.0
  O  O25  1  0.966  0.339  0.781  1.0
  O  O26  1  0.647  0.768  0.463  1.0
  O  O27  1  0.147  0.732  0.537  1.0
  O  O28  1  0.353  0.232  0.537  1.0
  O  O29  1  0.853  0.268  0.463  1.0
  O  O30  1  0.753  0.379  0.758  1.0
  O  O31  1  0.253  0.121  0.242  1.0
  O  O32  1  0.247  0.621  0.242  1.0
  O  O33  1  0.747  0.879  0.758  1.0
[/CIF]
.