The crystal structure described by Nd2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Nd(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted RuO5 trigonal bipyramids that share corners with three equivalent Nd(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(3)Nd3Ru tetrahedra,  a cornercorner with one O(4)Nd3Ru trigonal pyramid, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids,  an edgeedge with one O(2)Nd3Ru tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra,  an edgeedge with one O(5)Nd2Ru2 trigonal pyramid, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Ru(1) atom to form distorted ONd3Ru tetrahedra that share  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(5)Nd2Ru2 trigonal pyramids. In the third O site, O(3) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form ONd3Ru tetrahedra that share  a cornercorner with one O(2)Nd3Ru tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with two equivalent O(4)Nd3Ru trigonal pyramids, edges with two equivalent O(2)Nd3Ru tetrahedra, edges with two equivalent O(5)Nd2Ru2 trigonal pyramids, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form distorted ONd3Ru trigonal pyramids that share  a cornercorner with one O(1)Nd4 tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with two equivalent O(4)Nd3Ru trigonal pyramids, corners with five equivalent O(5)Nd2Ru2 trigonal pyramids, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(1), one Nd(2), and two equivalent Ru(1) atoms to form distorted ONd2Ru2 trigonal pyramids that share  a cornercorner with one O(2)Nd3Ru tetrahedra,  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3Ru tetrahedra, and edges with two equivalent O(3)Nd3Ru tetrahedra. is represented by the CIF file [CIF]
data_Nd2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   10.653
_cell_length_c   11.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.539
_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
  Nd  Nd0  1  0.250  0.602  0.231  1.0
  Nd  Nd1  1  0.750  0.398  0.769  1.0
  Nd  Nd2  1  0.750  0.898  0.731  1.0
  Nd  Nd3  1  0.250  0.102  0.269  1.0
  Nd  Nd4  1  0.250  0.633  0.566  1.0
  Nd  Nd5  1  0.750  0.367  0.434  1.0
  Nd  Nd6  1  0.750  0.867  0.066  1.0
  Nd  Nd7  1  0.250  0.133  0.934  1.0
  Ru  Ru8  1  0.250  0.689  0.882  1.0
  Ru  Ru9  1  0.750  0.311  0.118  1.0
  Ru  Ru10  1  0.750  0.811  0.382  1.0
  Ru  Ru11  1  0.250  0.189  0.618  1.0
  O  O12  1  0.250  0.989  0.095  1.0
  O  O13  1  0.750  0.011  0.905  1.0
  O  O14  1  0.750  0.511  0.595  1.0
  O  O15  1  0.250  0.489  0.405  1.0
  O  O16  1  0.250  0.720  0.044  1.0
  O  O17  1  0.750  0.280  0.956  1.0
  O  O18  1  0.750  0.780  0.544  1.0
  O  O19  1  0.250  0.220  0.456  1.0
  O  O20  1  0.250  0.774  0.729  1.0
  O  O21  1  0.750  0.226  0.271  1.0
  O  O22  1  0.750  0.726  0.229  1.0
  O  O23  1  0.250  0.274  0.771  1.0
  O  O24  1  0.250  0.533  0.800  1.0
  O  O25  1  0.750  0.467  0.200  1.0
  O  O26  1  0.750  0.967  0.300  1.0
  O  O27  1  0.250  0.033  0.700  1.0
  O  O28  1  0.250  0.764  0.384  1.0
  O  O29  1  0.750  0.236  0.616  1.0
  O  O30  1  0.750  0.736  0.884  1.0
  O  O31  1  0.250  0.264  0.116  1.0
[/CIF]
.
The crystal structure described by Nd2RuO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded to one O(1), one O(2), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent Ru(1)O5 trigonal bipyramids, edges with two equivalent Nd(1)O7 hexagonal pyramids, and edges with two equivalent Ru(1)O5 trigonal bipyramids. In the second Nd site, Nd(2) is bonded in a distorted body-centered cubic geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Ru(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(5) atoms to form distorted RuO5 trigonal bipyramids that share corners with three equivalent Nd(1)O7 hexagonal pyramids, corners with two equivalent Ru(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O7 hexagonal pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Nd(1) and three equivalent Nd(2) atoms to form ONd4 tetrahedra that share corners with two equivalent O(1)Nd4 tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(3)Nd3Ru tetrahedra,  a cornercorner with one O(4)Nd3Ru trigonal pyramid, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids,  an edgeedge with one O(2)Nd3Ru tetrahedra, edges with two equivalent O(1)Nd4 tetrahedra,  an edgeedge with one O(5)Nd2Ru2 trigonal pyramid, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the second O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one Ru(1) atom to form distorted ONd3Ru tetrahedra that share  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(2)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(5)Nd2Ru2 trigonal pyramids. In the third O site, O(3) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form ONd3Ru tetrahedra that share  a cornercorner with one O(2)Nd3Ru tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(1)Nd4 tetrahedra,  a cornercorner with one O(5)Nd2Ru2 trigonal pyramid, corners with two equivalent O(4)Nd3Ru trigonal pyramids, edges with two equivalent O(2)Nd3Ru tetrahedra, edges with two equivalent O(5)Nd2Ru2 trigonal pyramids, and edges with two equivalent O(4)Nd3Ru trigonal pyramids. In the fourth O site, O(4) is bonded to one Nd(2), two equivalent Nd(1), and one Ru(1) atom to form distorted ONd3Ru trigonal pyramids that share  a cornercorner with one O(1)Nd4 tetrahedra, corners with two equivalent O(3)Nd3Ru tetrahedra, corners with five equivalent O(2)Nd3Ru tetrahedra, corners with two equivalent O(4)Nd3Ru trigonal pyramids, corners with five equivalent O(5)Nd2Ru2 trigonal pyramids, edges with two equivalent O(3)Nd3Ru tetrahedra, and edges with two equivalent O(1)Nd4 tetrahedra. In the fifth O site, O(5) is bonded to one Nd(1), one Nd(2), and two equivalent Ru(1) atoms to form distorted ONd2Ru2 trigonal pyramids that share  a cornercorner with one O(2)Nd3Ru tetrahedra,  a cornercorner with one O(3)Nd3Ru tetrahedra, corners with two equivalent O(1)Nd4 tetrahedra, corners with two equivalent O(5)Nd2Ru2 trigonal pyramids, corners with five equivalent O(4)Nd3Ru trigonal pyramids,  an edgeedge with one O(1)Nd4 tetrahedra, edges with two equivalent O(2)Nd3Ru tetrahedra, and edges with two equivalent O(3)Nd3Ru tetrahedra. is represented by the CIF file [CIF]
data_Nd2RuO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.988
_cell_length_b   10.653
_cell_length_c   11.547
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   490.539
_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
  Nd  Nd0  1  0.250  0.602  0.231  1.0
  Nd  Nd1  1  0.750  0.398  0.769  1.0
  Nd  Nd2  1  0.750  0.898  0.731  1.0
  Nd  Nd3  1  0.250  0.102  0.269  1.0
  Nd  Nd4  1  0.250  0.633  0.566  1.0
  Nd  Nd5  1  0.750  0.367  0.434  1.0
  Nd  Nd6  1  0.750  0.867  0.066  1.0
  Nd  Nd7  1  0.250  0.133  0.934  1.0
  Ru  Ru8  1  0.250  0.689  0.882  1.0
  Ru  Ru9  1  0.750  0.311  0.118  1.0
  Ru  Ru10  1  0.750  0.811  0.382  1.0
  Ru  Ru11  1  0.250  0.189  0.618  1.0
  O  O12  1  0.250  0.989  0.095  1.0
  O  O13  1  0.750  0.011  0.905  1.0
  O  O14  1  0.750  0.511  0.595  1.0
  O  O15  1  0.250  0.489  0.405  1.0
  O  O16  1  0.250  0.720  0.044  1.0
  O  O17  1  0.750  0.280  0.956  1.0
  O  O18  1  0.750  0.780  0.544  1.0
  O  O19  1  0.250  0.220  0.456  1.0
  O  O20  1  0.250  0.774  0.729  1.0
  O  O21  1  0.750  0.226  0.271  1.0
  O  O22  1  0.750  0.726  0.229  1.0
  O  O23  1  0.250  0.274  0.771  1.0
  O  O24  1  0.250  0.533  0.800  1.0
  O  O25  1  0.750  0.467  0.200  1.0
  O  O26  1  0.750  0.967  0.300  1.0
  O  O27  1  0.250  0.033  0.700  1.0
  O  O28  1  0.250  0.764  0.384  1.0
  O  O29  1  0.750  0.236  0.616  1.0
  O  O30  1  0.750  0.736  0.884  1.0
  O  O31  1  0.250  0.264  0.116  1.0
[/CIF]
.