The crystal structure described by Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(2), two equivalent O(3), three equivalent O(1), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Co(2)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Sr2NbCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.636
_cell_length_c   5.642
_cell_angle_alpha   60.959
_cell_angle_beta   88.307
_cell_angle_gamma   118.976
_symmetry_Int_Tables_number   1
_cell_volume   128.584
_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  0.250  0.500  0.250  1.0
  Nb  Nb1  1  0.750  0.500  0.750  1.0
  O  O2  1  0.007  0.500  0.493  1.0
  O  O3  1  0.493  0.500  0.007  1.0
  O  O4  1  0.503  0.006  0.997  1.0
  O  O5  1  0.997  0.994  0.503  1.0
  O  O6  1  0.997  0.500  0.997  1.0
  O  O7  1  0.503  0.500  0.503  1.0
  Sr  Sr8  1  0.000  1.000  0.000  1.0
  Sr  Sr9  1  0.500  0.000  0.500  1.0
[/CIF]
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The crystal structure described by Sr2CoNbO6 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), two equivalent O(4), three equivalent O(2), and six equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Co(1)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(2), two equivalent O(3), three equivalent O(1), and six equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with six equivalent Sr(1)O12 cuboctahedra, corners with six equivalent Sr(2)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, faces with three equivalent Sr(2)O12 cuboctahedra,  a faceface with one Co(1)O6 octahedra, faces with three equivalent Co(2)O6 octahedra, and faces with four equivalent Nb(1)O6 octahedra. Nb(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(2)O12 cuboctahedra, and faces with six equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. In the second Co site, Co(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CoO6 octahedra that share corners with six equivalent Nb(1)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with six equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom. In the third O site, O(3) is bonded to one Sr(2), three equivalent Sr(1), one Nb(1), and one Co(1) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fourth O site, O(4) is bonded to one Sr(1), three equivalent Sr(2), one Nb(1), and one Co(2) atom to form a mixture of distorted edge, corner, and face-sharing OSr4NbCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. is represented by the CIF file [CIF]
data_Sr2NbCoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.635
_cell_length_b   5.636
_cell_length_c   5.642
_cell_angle_alpha   60.959
_cell_angle_beta   88.307
_cell_angle_gamma   118.976
_symmetry_Int_Tables_number   1
_cell_volume   128.584
_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  0.250  0.500  0.250  1.0
  Nb  Nb1  1  0.750  0.500  0.750  1.0
  O  O2  1  0.007  0.500  0.493  1.0
  O  O3  1  0.493  0.500  0.007  1.0
  O  O4  1  0.503  0.006  0.997  1.0
  O  O5  1  0.997  0.994  0.503  1.0
  O  O6  1  0.997  0.500  0.997  1.0
  O  O7  1  0.503  0.500  0.503  1.0
  Sr  Sr8  1  0.000  1.000  0.000  1.0
  Sr  Sr9  1  0.500  0.000  0.500  1.0
[/CIF]
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