The compound described by Sr3CoRuO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form RuO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Co(1) atom to form distorted OSr5Co octahedra that share  a cornercorner with one O(3)Sr4CoRu octahedra, corners with four equivalent O(1)Sr5Co octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ru octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(3)Sr4CoRu octahedra, corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ru octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the third O site, O(3) is bonded to four equivalent Sr(3), one Ru(1), and one Co(1) atom to form distorted OSr4CoRu octahedra that share  a cornercorner with one O(1)Sr5Co octahedra,  a cornercorner with one O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4CoRu octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(3)Sr4CoRu octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Ru(1) atoms. In the sixth O site, O(3) is bonded to four equivalent Sr(3), one Ru(1), and one Co(1) atom to form distorted OSr4CoRu octahedra that share  a cornercorner with one O(1)Sr5Co octahedra,  a cornercorner with one O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4CoRu octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CoRuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.727
_cell_length_b   10.727
_cell_length_c   10.727
_cell_angle_alpha   158.797
_cell_angle_beta   158.797
_cell_angle_gamma   30.162
_symmetry_Int_Tables_number   1
_cell_volume   161.369
_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  0.320  0.320  0.000  1.0
  Sr  Sr1  1  0.685  0.685  0.000  1.0
  Sr  Sr2  1  0.489  0.489  0.000  1.0
  Co  Co3  1  0.895  0.895  0.000  1.0
  Ru  Ru4  1  0.097  0.097  0.000  1.0
  O  O5  1  0.804  0.804  0.000  1.0
  O  O6  1  0.196  0.196  0.000  1.0
  O  O7  1  0.005  0.005  0.000  1.0
  O  O8  1  0.905  0.405  0.500  1.0
  O  O9  1  0.405  0.905  0.500  1.0
  O  O10  1  0.100  0.600  0.500  1.0
  O  O11  1  0.600  0.100  0.500  1.0
[/CIF]
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The compound described by Sr3CoRuO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded to four equivalent O(3), four equivalent O(4), and four equivalent O(5) atoms to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Ru(1) is bonded to one O(2), one O(3), and four equivalent O(5) atoms to form RuO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. Co(1) is bonded to one O(1), one O(3), and four equivalent O(4) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ru(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with four equivalent Sr(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-12°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(1), and one Co(1) atom to form distorted OSr5Co octahedra that share  a cornercorner with one O(3)Sr4CoRu octahedra, corners with four equivalent O(1)Sr5Co octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ru octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the second O site, O(2) is bonded to one Sr(1), four equivalent Sr(2), and one Ru(1) atom to form OSr5Ru octahedra that share  a cornercorner with one O(3)Sr4CoRu octahedra, corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ru octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ru octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the third O site, O(3) is bonded to four equivalent Sr(3), one Ru(1), and one Co(1) atom to form distorted OSr4CoRu octahedra that share  a cornercorner with one O(1)Sr5Co octahedra,  a cornercorner with one O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4CoRu octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(3)Sr4CoRu octahedra, faces with two equivalent O(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-53°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(2), two equivalent Sr(3), and two equivalent Ru(1) atoms. In the sixth O site, O(3) is bonded to four equivalent Sr(3), one Ru(1), and one Co(1) atom to form distorted OSr4CoRu octahedra that share  a cornercorner with one O(1)Sr5Co octahedra,  a cornercorner with one O(2)Sr5Ru octahedra, corners with four equivalent O(3)Sr4CoRu octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(3)Sr4CoRu octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-53°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr3CoRuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.727
_cell_length_b   10.727
_cell_length_c   10.727
_cell_angle_alpha   158.797
_cell_angle_beta   158.797
_cell_angle_gamma   30.162
_symmetry_Int_Tables_number   1
_cell_volume   161.369
_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  0.320  0.320  0.000  1.0
  Sr  Sr1  1  0.685  0.685  0.000  1.0
  Sr  Sr2  1  0.489  0.489  0.000  1.0
  Co  Co3  1  0.895  0.895  0.000  1.0
  Ru  Ru4  1  0.097  0.097  0.000  1.0
  O  O5  1  0.804  0.804  0.000  1.0
  O  O6  1  0.196  0.196  0.000  1.0
  O  O7  1  0.005  0.005  0.000  1.0
  O  O8  1  0.905  0.405  0.500  1.0
  O  O9  1  0.405  0.905  0.500  1.0
  O  O10  1  0.100  0.600  0.500  1.0
  O  O11  1  0.600  0.100  0.500  1.0
[/CIF]
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