The material structure described by Sr2NdRuCu2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Nd(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Nd(1)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with five equivalent Cu(1)O6 octahedra. Nd(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ru(1)O6 octahedra, and faces with six equivalent Cu(1)O6 octahedra. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, faces with two equivalent Nd(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. Cu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CuO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, faces with three equivalent Nd(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with six equivalent O(1)Sr2Nd2Cu2 octahedra, corners with sixteen equivalent O(2)Sr3NdCuRu octahedra, edges with four equivalent O(2)Sr3NdCuRu octahedra, faces with four equivalent O(1)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(2)Sr3NdCuRu octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to three equivalent Sr(1), one Nd(1), one Ru(1), and one Cu(1) atom to form distorted OSr3NdCuRu octahedra that share corners with eight equivalent O(1)Sr2Nd2Cu2 octahedra, corners with fourteen equivalent O(2)Sr3NdCuRu octahedra, edges with two equivalent O(1)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Sr3NdCuRu octahedra, faces with two equivalent O(1)Sr2Nd2Cu2 octahedra, and faces with six equivalent O(2)Sr3NdCuRu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NdCu2RuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   6.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.852
_cell_formula_units_Z   1
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  0.667  0.333  0.826  1.0
  Sr  Sr1  1  0.333  0.667  0.174  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.667  0.333  0.341  1.0
  Cu  Cu4  1  0.333  0.667  0.659  1.0
  Ru  Ru5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.161  0.839  0.829  1.0
  O  O8  1  0.839  0.161  0.171  1.0
  O  O9  1  0.677  0.839  0.829  1.0
  O  O10  1  0.323  0.161  0.171  1.0
  O  O11  1  0.000  0.500  0.500  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.161  0.323  0.829  1.0
  O  O14  1  0.839  0.677  0.171  1.0
[/CIF]
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The material structure described by Sr2NdRuCu2O9 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. Sr(1) is bonded to three equivalent O(1) and nine equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with three equivalent Nd(1)O12 cuboctahedra, corners with nine equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Nd(1)O12 cuboctahedra, faces with three equivalent Ru(1)O6 octahedra, and faces with five equivalent Cu(1)O6 octahedra. Nd(1) is bonded to six equivalent O(1) and six equivalent O(2) atoms to form NdO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Nd(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ru(1)O6 octahedra, and faces with six equivalent Cu(1)O6 octahedra. Ru(1) is bonded to six equivalent O(2) atoms to form RuO6 octahedra that share corners with six equivalent Cu(1)O6 octahedra, faces with two equivalent Nd(1)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 2°. Cu(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CuO6 octahedra that share corners with three equivalent Ru(1)O6 octahedra, corners with three equivalent Cu(1)O6 octahedra, faces with three equivalent Nd(1)O12 cuboctahedra, and faces with five equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Cu(1) atoms to form distorted OSr2Nd2Cu2 octahedra that share corners with six equivalent O(1)Sr2Nd2Cu2 octahedra, corners with sixteen equivalent O(2)Sr3NdCuRu octahedra, edges with four equivalent O(2)Sr3NdCuRu octahedra, faces with four equivalent O(1)Sr2Nd2Cu2 octahedra, and faces with four equivalent O(2)Sr3NdCuRu octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded to three equivalent Sr(1), one Nd(1), one Ru(1), and one Cu(1) atom to form distorted OSr3NdCuRu octahedra that share corners with eight equivalent O(1)Sr2Nd2Cu2 octahedra, corners with fourteen equivalent O(2)Sr3NdCuRu octahedra, edges with two equivalent O(1)Sr2Nd2Cu2 octahedra, edges with two equivalent O(2)Sr3NdCuRu octahedra, faces with two equivalent O(1)Sr2Nd2Cu2 octahedra, and faces with six equivalent O(2)Sr3NdCuRu octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2NdCu2RuO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   6.818
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   182.852
_cell_formula_units_Z   1
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  0.667  0.333  0.826  1.0
  Sr  Sr1  1  0.333  0.667  0.174  1.0
  Nd  Nd2  1  0.000  0.000  0.500  1.0
  Cu  Cu3  1  0.667  0.333  0.341  1.0
  Cu  Cu4  1  0.333  0.667  0.659  1.0
  Ru  Ru5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.500  0.500  0.500  1.0
  O  O7  1  0.161  0.839  0.829  1.0
  O  O8  1  0.839  0.161  0.171  1.0
  O  O9  1  0.677  0.839  0.829  1.0
  O  O10  1  0.323  0.161  0.171  1.0
  O  O11  1  0.000  0.500  0.500  1.0
  O  O12  1  0.500  0.000  0.500  1.0
  O  O13  1  0.161  0.323  0.829  1.0
  O  O14  1  0.839  0.677  0.171  1.0
[/CIF]
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