The material described by CoNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.722
_cell_length_c   14.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.985
_cell_formula_units_Z   4
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  0.253  0.681  0.158  1.0
  Nb  Nb1  1  0.753  0.819  0.342  1.0
  Nb  Nb2  1  0.247  0.681  0.842  1.0
  Nb  Nb3  1  0.747  0.819  0.658  1.0
  Nb  Nb4  1  0.747  0.319  0.842  1.0
  Nb  Nb5  1  0.247  0.181  0.658  1.0
  Nb  Nb6  1  0.753  0.319  0.158  1.0
  Nb  Nb7  1  0.253  0.181  0.342  1.0
  Co  Co8  1  0.750  0.855  0.000  1.0
  Co  Co9  1  0.250  0.645  0.500  1.0
  Co  Co10  1  0.250  0.145  0.000  1.0
  Co  Co11  1  0.750  0.355  0.500  1.0
  O  O12  1  0.580  0.613  0.093  1.0
  O  O13  1  0.080  0.887  0.407  1.0
  O  O14  1  0.920  0.613  0.907  1.0
  O  O15  1  0.420  0.887  0.593  1.0
  O  O16  1  0.420  0.387  0.907  1.0
  O  O17  1  0.920  0.113  0.593  1.0
  O  O18  1  0.080  0.387  0.093  1.0
  O  O19  1  0.580  0.113  0.407  1.0
  O  O20  1  0.069  0.878  0.075  1.0
  O  O21  1  0.569  0.622  0.425  1.0
  O  O22  1  0.431  0.878  0.925  1.0
  O  O23  1  0.931  0.622  0.575  1.0
  O  O24  1  0.931  0.122  0.925  1.0
  O  O25  1  0.431  0.378  0.575  1.0
  O  O26  1  0.569  0.122  0.075  1.0
  O  O27  1  0.069  0.378  0.425  1.0
  O  O28  1  0.418  0.883  0.255  1.0
  O  O29  1  0.918  0.617  0.245  1.0
  O  O30  1  0.082  0.883  0.745  1.0
  O  O31  1  0.582  0.617  0.755  1.0
  O  O32  1  0.582  0.117  0.745  1.0
  O  O33  1  0.082  0.383  0.755  1.0
  O  O34  1  0.918  0.117  0.255  1.0
  O  O35  1  0.418  0.383  0.245  1.0
[/CIF]
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The material described by CoNb2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. Nb(1) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form distorted NbO6 octahedra that share corners with four equivalent Nb(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with eight equivalent Nb(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-59°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Nb(1) and one Co(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(1) and two equivalent Co(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to three equivalent Nb(1) atoms. is represented by the CIF card [CIF]
data_Nb2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.019
_cell_length_b   5.722
_cell_length_c   14.066
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   403.985
_cell_formula_units_Z   4
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  0.253  0.681  0.158  1.0
  Nb  Nb1  1  0.753  0.819  0.342  1.0
  Nb  Nb2  1  0.247  0.681  0.842  1.0
  Nb  Nb3  1  0.747  0.819  0.658  1.0
  Nb  Nb4  1  0.747  0.319  0.842  1.0
  Nb  Nb5  1  0.247  0.181  0.658  1.0
  Nb  Nb6  1  0.753  0.319  0.158  1.0
  Nb  Nb7  1  0.253  0.181  0.342  1.0
  Co  Co8  1  0.750  0.855  0.000  1.0
  Co  Co9  1  0.250  0.645  0.500  1.0
  Co  Co10  1  0.250  0.145  0.000  1.0
  Co  Co11  1  0.750  0.355  0.500  1.0
  O  O12  1  0.580  0.613  0.093  1.0
  O  O13  1  0.080  0.887  0.407  1.0
  O  O14  1  0.920  0.613  0.907  1.0
  O  O15  1  0.420  0.887  0.593  1.0
  O  O16  1  0.420  0.387  0.907  1.0
  O  O17  1  0.920  0.113  0.593  1.0
  O  O18  1  0.080  0.387  0.093  1.0
  O  O19  1  0.580  0.113  0.407  1.0
  O  O20  1  0.069  0.878  0.075  1.0
  O  O21  1  0.569  0.622  0.425  1.0
  O  O22  1  0.431  0.878  0.925  1.0
  O  O23  1  0.931  0.622  0.575  1.0
  O  O24  1  0.931  0.122  0.925  1.0
  O  O25  1  0.431  0.378  0.575  1.0
  O  O26  1  0.569  0.122  0.075  1.0
  O  O27  1  0.069  0.378  0.425  1.0
  O  O28  1  0.418  0.883  0.255  1.0
  O  O29  1  0.918  0.617  0.245  1.0
  O  O30  1  0.082  0.883  0.745  1.0
  O  O31  1  0.582  0.617  0.755  1.0
  O  O32  1  0.582  0.117  0.745  1.0
  O  O33  1  0.082  0.383  0.755  1.0
  O  O34  1  0.918  0.117  0.255  1.0
  O  O35  1  0.418  0.383  0.245  1.0
[/CIF]
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