The material structure described by Sr3(Co0.5Nb0.5)2O7 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(4), two equivalent O(14), two equivalent O(5), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5), one O(7), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(13), one O(14), one O(5), and two equivalent O(11) atoms to form NbO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Nb site, Nb(2) is bonded to one O(13), one O(14), one O(2), one O(6), and two equivalent O(12) atoms to form NbO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(9), and two equivalent O(7) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Co site, Co(2) is bonded to one O(10), one O(2), one O(4), one O(9), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(5), two equivalent Sr(6), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sr(5), two equivalent Sr(6), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(7)Sr4Co2 octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(6)Sr5Nb octahedra,  a faceface with one O(10)Sr4Co2 octahedra,  a faceface with one O(9)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fifth O site, O(5) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Nb(1) atom to form OSr5Nb octahedra that share  a cornercorner with one O(7)Sr4Co2 octahedra,  a cornercorner with one O(8)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(6)Sr5Nb octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, and edges with two equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-49°. In the sixth O site, O(6) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Nb(2) atom to form distorted OSr5Nb octahedra that share  a cornercorner with one O(7)Sr4Co2 octahedra,  a cornercorner with one O(8)Sr4Co2 octahedra, corners with two equivalent O(10)Sr4Co2 octahedra, corners with four equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, and edges with two equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-49°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(5)Sr5Nb octahedra,  a cornercorner with one O(6)Sr5Nb octahedra, corners with two equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, and faces with two equivalent O(9)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 16-54°. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(5)Sr5Nb octahedra,  a cornercorner with one O(6)Sr5Nb octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, edges with two equivalent O(7)Sr4Co2 octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, faces with two equivalent O(9)Sr4Co2 octahedra, and faces with two equivalent O(4)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-45°. In the ninth O site, O(9) is bonded to two equivalent Sr(3), two equivalent Sr(5), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(9)Sr4Co2 octahedra,  a faceface with one O(4)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the tenth O site, O(10) is bonded to two equivalent Sr(4), two equivalent Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(9)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with two equivalent O(6)Sr5Nb octahedra, edges with two equivalent O(10)Sr4Co2 octahedra,  a faceface with one O(4)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), and two equivalent Nb(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(1), one Nb(1), and one Nb(2) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Sr(2), one Nb(1), and one Nb(2) atom. is represented by the CIF file [CIF]
data_Sr3NbCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   4.001
_cell_length_c   11.045
_cell_angle_alpha   79.674
_cell_angle_beta   79.672
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   169.587
_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
  Co  Co0  1  0.893  0.899  0.215  1.0
  Nb  Nb1  1  0.097  0.099  0.805  1.0
  O  O2  1  0.008  0.007  0.984  1.0
  O  O3  1  0.802  0.792  0.395  1.0
  O  O4  1  0.197  0.194  0.607  1.0
  O  O5  1  0.904  0.402  0.191  1.0
  O  O6  1  0.403  0.906  0.194  1.0
  O  O7  1  0.103  0.603  0.794  1.0
  O  O8  1  0.603  0.103  0.793  1.0
  Sr  Sr9  1  0.691  0.690  0.618  1.0
  Sr  Sr10  1  0.318  0.321  0.363  1.0
  Sr  Sr11  1  0.480  0.484  0.040  1.0
[/CIF]
.
The material structure described by Sr3(Co0.5Nb0.5)2O7 is (La,Ba)CuO4-derived structured and crystallizes in the triclinic P1 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(3), two equivalent O(13), two equivalent O(5), and two equivalent O(6) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(4), two equivalent O(14), two equivalent O(5), and two equivalent O(6) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(5), one O(7), one O(8), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(3), and two equivalent O(4) atoms. In the fifth Sr site, Sr(5) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(2), and two equivalent O(9) atoms. In the sixth Sr site, Sr(6) is bonded in a 8-coordinate geometry to one O(7), one O(8), two equivalent O(1), two equivalent O(10), and two equivalent O(2) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(13), one O(14), one O(5), and two equivalent O(11) atoms to form NbO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. In the second Nb site, Nb(2) is bonded to one O(13), one O(14), one O(2), one O(6), and two equivalent O(12) atoms to form NbO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, and corners with two equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(3), one O(9), and two equivalent O(7) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Co site, Co(2) is bonded to one O(10), one O(2), one O(4), one O(9), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Sr(5), two equivalent Sr(6), one Nb(1), and one Co(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Sr(5), two equivalent Sr(6), one Nb(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Sr(1), two equivalent Sr(3), two equivalent Sr(4), and one Co(1) atom. In the fourth O site, O(4) is bonded to one Sr(2), two equivalent Sr(3), two equivalent Sr(4), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(7)Sr4Co2 octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(6)Sr5Nb octahedra,  a faceface with one O(10)Sr4Co2 octahedra,  a faceface with one O(9)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fifth O site, O(5) is bonded to one Sr(3), two equivalent Sr(1), two equivalent Sr(2), and one Nb(1) atom to form OSr5Nb octahedra that share  a cornercorner with one O(7)Sr4Co2 octahedra,  a cornercorner with one O(8)Sr4Co2 octahedra, corners with two equivalent O(9)Sr4Co2 octahedra, corners with four equivalent O(6)Sr5Nb octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, and edges with two equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-49°. In the sixth O site, O(6) is bonded to one Sr(4), two equivalent Sr(1), two equivalent Sr(2), and one Nb(2) atom to form distorted OSr5Nb octahedra that share  a cornercorner with one O(7)Sr4Co2 octahedra,  a cornercorner with one O(8)Sr4Co2 octahedra, corners with two equivalent O(10)Sr4Co2 octahedra, corners with four equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(4)Sr5Co octahedra, edges with two equivalent O(5)Sr5Nb octahedra, and edges with two equivalent O(6)Sr5Nb octahedra. The corner-sharing octahedral tilt angles range from 4-49°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(5)Sr5Nb octahedra,  a cornercorner with one O(6)Sr5Nb octahedra, corners with two equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, and faces with two equivalent O(9)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 16-54°. In the eighth O site, O(8) is bonded to one Sr(3), one Sr(4), one Sr(5), one Sr(6), and two equivalent Co(2) atoms to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(5)Sr5Nb octahedra,  a cornercorner with one O(6)Sr5Nb octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, edges with two equivalent O(7)Sr4Co2 octahedra, faces with two equivalent O(10)Sr4Co2 octahedra, faces with two equivalent O(9)Sr4Co2 octahedra, and faces with two equivalent O(4)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-45°. In the ninth O site, O(9) is bonded to two equivalent Sr(3), two equivalent Sr(5), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(10)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with two equivalent O(5)Sr5Nb octahedra, edges with two equivalent O(9)Sr4Co2 octahedra,  a faceface with one O(4)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the tenth O site, O(10) is bonded to two equivalent Sr(4), two equivalent Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with two equivalent O(9)Sr4Co2 octahedra, corners with two equivalent O(4)Sr5Co octahedra, corners with two equivalent O(6)Sr5Nb octahedra, edges with two equivalent O(10)Sr4Co2 octahedra,  a faceface with one O(4)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-52°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), and two equivalent Nb(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), and two equivalent Nb(2) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to two equivalent Sr(1), one Nb(1), and one Nb(2) atom. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to two equivalent Sr(2), one Nb(1), and one Nb(2) atom. is represented by the CIF file [CIF]
data_Sr3NbCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.968
_cell_length_b   4.001
_cell_length_c   11.045
_cell_angle_alpha   79.674
_cell_angle_beta   79.672
_cell_angle_gamma   90.013
_symmetry_Int_Tables_number   1
_cell_volume   169.587
_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
  Co  Co0  1  0.893  0.899  0.215  1.0
  Nb  Nb1  1  0.097  0.099  0.805  1.0
  O  O2  1  0.008  0.007  0.984  1.0
  O  O3  1  0.802  0.792  0.395  1.0
  O  O4  1  0.197  0.194  0.607  1.0
  O  O5  1  0.904  0.402  0.191  1.0
  O  O6  1  0.403  0.906  0.194  1.0
  O  O7  1  0.103  0.603  0.794  1.0
  O  O8  1  0.603  0.103  0.793  1.0
  Sr  Sr9  1  0.691  0.690  0.618  1.0
  Sr  Sr10  1  0.318  0.321  0.363  1.0
  Sr  Sr11  1  0.480  0.484  0.040  1.0
[/CIF]
.