The crystal structure described by SrNdCoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form RuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. In the second Ru site, Ru(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-26°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Nd(2), one Ru(1), and one Co(2) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Ru(2), and one Co(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), one Nd(1), one Nd(2), one Ru(1), and one Co(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Nd(1), one Ru(2), and one Co(1) atom. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), one Nd(2), one Ru(1), and one Co(1) atom. In the sixth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), one Nd(2), one Ru(2), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNdCoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.843
_cell_length_c   8.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.083
_symmetry_Int_Tables_number   1
_cell_volume   489.913
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Sr  Sr1  1  0.750  0.750  0.750  1.0
  Sr  Sr2  1  0.250  0.750  0.726  1.0
  Sr  Sr3  1  0.750  0.250  0.274  1.0
  Nd  Nd4  1  0.250  0.750  0.224  1.0
  Nd  Nd5  1  0.750  0.250  0.776  1.0
  Nd  Nd6  1  0.750  0.750  0.254  1.0
  Nd  Nd7  1  0.250  0.250  0.746  1.0
  Co  Co8  1  0.000  0.500  0.000  1.0
  Co  Co9  1  0.500  0.000  0.000  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
  Ru  Ru12  1  0.500  0.000  0.500  1.0
  Ru  Ru13  1  0.000  0.500  0.500  1.0
  Ru  Ru14  1  0.500  0.500  0.000  1.0
  Ru  Ru15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.551  0.245  0.538  1.0
  O  O17  1  0.949  0.255  0.538  1.0
  O  O18  1  0.747  0.451  0.019  1.0
  O  O19  1  0.753  0.049  0.019  1.0
  O  O20  1  0.449  0.755  0.462  1.0
  O  O21  1  0.051  0.745  0.462  1.0
  O  O22  1  0.253  0.549  0.981  1.0
  O  O23  1  0.247  0.951  0.981  1.0
  O  O24  1  0.475  0.024  0.258  1.0
  O  O25  1  0.025  0.476  0.258  1.0
  O  O26  1  0.530  0.513  0.756  1.0
  O  O27  1  0.970  0.987  0.756  1.0
  O  O28  1  0.525  0.976  0.742  1.0
  O  O29  1  0.975  0.524  0.742  1.0
  O  O30  1  0.470  0.487  0.244  1.0
  O  O31  1  0.030  0.013  0.244  1.0
  O  O32  1  0.250  0.048  0.534  1.0
  O  O33  1  0.250  0.452  0.534  1.0
  O  O34  1  0.542  0.750  0.038  1.0
  O  O35  1  0.958  0.750  0.038  1.0
  O  O36  1  0.750  0.952  0.466  1.0
  O  O37  1  0.750  0.548  0.466  1.0
  O  O38  1  0.458  0.250  0.962  1.0
  O  O39  1  0.042  0.250  0.962  1.0
[/CIF]
.
The crystal structure described by SrNdCoRuO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 4-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form RuO6 octahedra that share corners with two equivalent Co(1)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-29°. In the second Ru site, Ru(2) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form RuO6 octahedra that share corners with two equivalent Co(2)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-26°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form CoO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra and corners with four equivalent Ru(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-26°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Ru(2)O6 octahedra and corners with four equivalent Ru(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-29°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Nd(2), one Ru(1), and one Co(2) atom. In the second O site, O(6) is bonded in a 5-coordinate geometry to one Sr(1), one Nd(1), one Nd(2), one Ru(2), and one Co(1) atom. In the third O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), one Nd(1), one Nd(2), one Ru(1), and one Co(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Sr(2), one Nd(1), one Ru(2), and one Co(1) atom. In the fifth O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), one Nd(2), one Ru(1), and one Co(1) atom. In the sixth O site, O(4) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(2), one Nd(1), one Nd(2), one Ru(2), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNdCoRuO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.776
_cell_length_b   7.843
_cell_length_c   8.033
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.083
_symmetry_Int_Tables_number   1
_cell_volume   489.913
_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
  Sr  Sr0  1  0.250  0.250  0.250  1.0
  Sr  Sr1  1  0.750  0.750  0.750  1.0
  Sr  Sr2  1  0.250  0.750  0.726  1.0
  Sr  Sr3  1  0.750  0.250  0.274  1.0
  Nd  Nd4  1  0.250  0.750  0.224  1.0
  Nd  Nd5  1  0.750  0.250  0.776  1.0
  Nd  Nd6  1  0.750  0.750  0.254  1.0
  Nd  Nd7  1  0.250  0.250  0.746  1.0
  Co  Co8  1  0.000  0.500  0.000  1.0
  Co  Co9  1  0.500  0.000  0.000  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.500  0.500  0.500  1.0
  Ru  Ru12  1  0.500  0.000  0.500  1.0
  Ru  Ru13  1  0.000  0.500  0.500  1.0
  Ru  Ru14  1  0.500  0.500  0.000  1.0
  Ru  Ru15  1  0.000  0.000  0.000  1.0
  O  O16  1  0.551  0.245  0.538  1.0
  O  O17  1  0.949  0.255  0.538  1.0
  O  O18  1  0.747  0.451  0.019  1.0
  O  O19  1  0.753  0.049  0.019  1.0
  O  O20  1  0.449  0.755  0.462  1.0
  O  O21  1  0.051  0.745  0.462  1.0
  O  O22  1  0.253  0.549  0.981  1.0
  O  O23  1  0.247  0.951  0.981  1.0
  O  O24  1  0.475  0.024  0.258  1.0
  O  O25  1  0.025  0.476  0.258  1.0
  O  O26  1  0.530  0.513  0.756  1.0
  O  O27  1  0.970  0.987  0.756  1.0
  O  O28  1  0.525  0.976  0.742  1.0
  O  O29  1  0.975  0.524  0.742  1.0
  O  O30  1  0.470  0.487  0.244  1.0
  O  O31  1  0.030  0.013  0.244  1.0
  O  O32  1  0.250  0.048  0.534  1.0
  O  O33  1  0.250  0.452  0.534  1.0
  O  O34  1  0.542  0.750  0.038  1.0
  O  O35  1  0.958  0.750  0.038  1.0
  O  O36  1  0.750  0.952  0.466  1.0
  O  O37  1  0.750  0.548  0.466  1.0
  O  O38  1  0.458  0.250  0.962  1.0
  O  O39  1  0.042  0.250  0.962  1.0
[/CIF]
.