The structure described by Nb2(CoO3)3 crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nb(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONbCo3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Nb(1), one Nb(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2(CoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   14.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   326.220
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.000  0.000  0.857  1.0
  Nb  Nb1  1  0.000  0.000  0.144  1.0
  Nb  Nb2  1  0.000  0.000  0.644  1.0
  Nb  Nb3  1  0.000  0.000  0.357  1.0
  Co  Co4  1  0.667  0.333  0.678  1.0
  Co  Co5  1  0.667  0.333  0.983  1.0
  Co  Co6  1  0.667  0.333  0.483  1.0
  Co  Co7  1  0.333  0.667  0.504  1.0
  Co  Co8  1  0.333  0.667  0.004  1.0
  Co  Co9  1  0.667  0.333  0.178  1.0
  O  O10  1  0.368  0.338  0.089  1.0
  O  O11  1  0.676  0.686  0.924  1.0
  O  O12  1  0.928  0.247  0.244  1.0
  O  O13  1  0.319  0.072  0.244  1.0
  O  O14  1  0.970  0.632  0.089  1.0
  O  O15  1  0.662  0.632  0.589  1.0
  O  O16  1  0.753  0.072  0.744  1.0
  O  O17  1  0.010  0.324  0.924  1.0
  O  O18  1  0.010  0.686  0.424  1.0
  O  O19  1  0.368  0.030  0.589  1.0
  O  O20  1  0.319  0.247  0.744  1.0
  O  O21  1  0.970  0.338  0.589  1.0
  O  O22  1  0.753  0.681  0.244  1.0
  O  O23  1  0.314  0.990  0.924  1.0
  O  O24  1  0.662  0.030  0.089  1.0
  O  O25  1  0.676  0.990  0.424  1.0
  O  O26  1  0.314  0.324  0.424  1.0
  O  O27  1  0.928  0.681  0.744  1.0
[/CIF]
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The structure described by Nb2(CoO3)3 crystallizes in the trigonal P3c1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, and corners with three equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. In the second Nb site, Nb(2) is bonded in a 6-coordinate geometry to three equivalent O(1) and three equivalent O(3) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and  a faceface with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-43°. In the second Co site, Co(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, edges with three equivalent Co(3)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form CoO6 octahedra that share corners with three equivalent Nb(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, and edges with three equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-47°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Nb(2), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing ONbCo3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(2), and one Co(3) atom. In the third O site, O(3) is bonded in a T-shaped geometry to one Nb(1), one Nb(2), and one Co(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nb2(CoO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.127
_cell_length_b   5.127
_cell_length_c   14.329
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   326.220
_cell_formula_units_Z   2
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
  Nb  Nb0  1  0.000  0.000  0.857  1.0
  Nb  Nb1  1  0.000  0.000  0.144  1.0
  Nb  Nb2  1  0.000  0.000  0.644  1.0
  Nb  Nb3  1  0.000  0.000  0.357  1.0
  Co  Co4  1  0.667  0.333  0.678  1.0
  Co  Co5  1  0.667  0.333  0.983  1.0
  Co  Co6  1  0.667  0.333  0.483  1.0
  Co  Co7  1  0.333  0.667  0.504  1.0
  Co  Co8  1  0.333  0.667  0.004  1.0
  Co  Co9  1  0.667  0.333  0.178  1.0
  O  O10  1  0.368  0.338  0.089  1.0
  O  O11  1  0.676  0.686  0.924  1.0
  O  O12  1  0.928  0.247  0.244  1.0
  O  O13  1  0.319  0.072  0.244  1.0
  O  O14  1  0.970  0.632  0.089  1.0
  O  O15  1  0.662  0.632  0.589  1.0
  O  O16  1  0.753  0.072  0.744  1.0
  O  O17  1  0.010  0.324  0.924  1.0
  O  O18  1  0.010  0.686  0.424  1.0
  O  O19  1  0.368  0.030  0.589  1.0
  O  O20  1  0.319  0.247  0.744  1.0
  O  O21  1  0.970  0.338  0.589  1.0
  O  O22  1  0.753  0.681  0.244  1.0
  O  O23  1  0.314  0.990  0.924  1.0
  O  O24  1  0.662  0.030  0.089  1.0
  O  O25  1  0.676  0.990  0.424  1.0
  O  O26  1  0.314  0.324  0.424  1.0
  O  O27  1  0.928  0.681  0.744  1.0
[/CIF]
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