The material structure described by La2RuO5 crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(9), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(8), one O(9), two equivalent O(10), and two equivalent O(3) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(7), two equivalent O(4), and two equivalent O(9) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the second Ru site, Ru(2) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one Ru(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), one La(4), two equivalent La(3), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(3), two equivalent La(4), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one Ru(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(1), one Ru(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), one La(3), one Ru(1), and one Ru(2) atom. In the ninth O site, O(9) is bonded to one La(1), one La(3), and two equivalent La(4) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the tenth O site, O(10) is bonded to one La(2), one La(4), and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   8.008
_cell_length_c   9.253
_cell_angle_alpha   78.861
_cell_angle_beta   88.196
_cell_angle_gamma   89.789
_symmetry_Int_Tables_number   1
_cell_volume   426.922
_cell_formula_units_Z   4
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
  La  La0  1  0.250  0.039  0.825  1.0
  La  La1  1  0.750  0.961  0.175  1.0
  La  La2  1  0.240  0.537  0.830  1.0
  La  La3  1  0.760  0.463  0.170  1.0
  La  La4  1  0.731  0.620  0.553  1.0
  La  La5  1  0.269  0.380  0.447  1.0
  La  La6  1  0.242  0.881  0.447  1.0
  La  La7  1  0.758  0.119  0.553  1.0
  Ru  Ru8  1  0.744  0.789  0.852  1.0
  Ru  Ru9  1  0.256  0.211  0.148  1.0
  Ru  Ru10  1  0.748  0.286  0.853  1.0
  Ru  Ru11  1  0.252  0.714  0.147  1.0
  O  O12  1  0.998  0.777  0.719  1.0
  O  O13  1  0.002  0.223  0.281  1.0
  O  O14  1  0.482  0.273  0.721  1.0
  O  O15  1  0.518  0.727  0.279  1.0
  O  O16  1  0.957  0.370  0.689  1.0
  O  O17  1  0.043  0.630  0.311  1.0
  O  O18  1  0.525  0.877  0.686  1.0
  O  O19  1  0.475  0.123  0.314  1.0
  O  O20  1  0.973  0.691  0.016  1.0
  O  O21  1  0.027  0.309  0.984  1.0
  O  O22  1  0.473  0.790  0.984  1.0
  O  O23  1  0.527  0.210  0.016  1.0
  O  O24  1  0.163  0.965  0.136  1.0
  O  O25  1  0.837  0.035  0.864  1.0
  O  O26  1  0.651  0.541  0.840  1.0
  O  O27  1  0.349  0.459  0.160  1.0
  O  O28  1  0.158  0.104  0.577  1.0
  O  O29  1  0.842  0.896  0.423  1.0
  O  O30  1  0.327  0.603  0.574  1.0
  O  O31  1  0.673  0.397  0.426  1.0
[/CIF]
.
The material structure described by La2RuO5 crystallizes in the triclinic P-1 space group. There are four inequivalent La sites. In the first La site, La(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), one O(6), one O(9), and two equivalent O(7) atoms. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(5), and one O(8) atom. In the third La site, La(3) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(8), one O(9), two equivalent O(10), and two equivalent O(3) atoms. In the fourth La site, La(4) is bonded in a 9-coordinate geometry to one O(1), one O(10), one O(2), one O(3), one O(7), two equivalent O(4), and two equivalent O(9) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. In the second Ru site, Ru(2) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles range from 21-32°. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one Ru(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one Ru(2) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one La(2), one La(4), two equivalent La(3), and one Ru(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one La(1), one La(3), two equivalent La(4), and one Ru(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one La(2), one Ru(1), and one Ru(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one La(1), one Ru(1), and one Ru(2) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one La(4), two equivalent La(1), one Ru(1), and one Ru(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one La(2), one La(3), one Ru(1), and one Ru(2) atom. In the ninth O site, O(9) is bonded to one La(1), one La(3), and two equivalent La(4) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. In the tenth O site, O(10) is bonded to one La(2), one La(4), and two equivalent La(3) atoms to form a mixture of corner and edge-sharing OLa4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   8.008
_cell_length_c   9.253
_cell_angle_alpha   78.861
_cell_angle_beta   88.196
_cell_angle_gamma   89.789
_symmetry_Int_Tables_number   1
_cell_volume   426.922
_cell_formula_units_Z   4
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
  La  La0  1  0.250  0.039  0.825  1.0
  La  La1  1  0.750  0.961  0.175  1.0
  La  La2  1  0.240  0.537  0.830  1.0
  La  La3  1  0.760  0.463  0.170  1.0
  La  La4  1  0.731  0.620  0.553  1.0
  La  La5  1  0.269  0.380  0.447  1.0
  La  La6  1  0.242  0.881  0.447  1.0
  La  La7  1  0.758  0.119  0.553  1.0
  Ru  Ru8  1  0.744  0.789  0.852  1.0
  Ru  Ru9  1  0.256  0.211  0.148  1.0
  Ru  Ru10  1  0.748  0.286  0.853  1.0
  Ru  Ru11  1  0.252  0.714  0.147  1.0
  O  O12  1  0.998  0.777  0.719  1.0
  O  O13  1  0.002  0.223  0.281  1.0
  O  O14  1  0.482  0.273  0.721  1.0
  O  O15  1  0.518  0.727  0.279  1.0
  O  O16  1  0.957  0.370  0.689  1.0
  O  O17  1  0.043  0.630  0.311  1.0
  O  O18  1  0.525  0.877  0.686  1.0
  O  O19  1  0.475  0.123  0.314  1.0
  O  O20  1  0.973  0.691  0.016  1.0
  O  O21  1  0.027  0.309  0.984  1.0
  O  O22  1  0.473  0.790  0.984  1.0
  O  O23  1  0.527  0.210  0.016  1.0
  O  O24  1  0.163  0.965  0.136  1.0
  O  O25  1  0.837  0.035  0.864  1.0
  O  O26  1  0.651  0.541  0.840  1.0
  O  O27  1  0.349  0.459  0.160  1.0
  O  O28  1  0.158  0.104  0.577  1.0
  O  O29  1  0.842  0.896  0.423  1.0
  O  O30  1  0.327  0.603  0.574  1.0
  O  O31  1  0.673  0.397  0.426  1.0
[/CIF]
.