The material structure described by CoNb2O6 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and edges with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Nb site, Nb(2) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Nb site, Nb(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(2), one O(4), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and  an edgeedge with one Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Nb site, Nb(5) is bonded to one O(1), one O(12), one O(3), one O(9), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(5), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(4), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(5), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Nb(3) and two equivalent Nb(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Nb(3) and two equivalent Nb(5) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(5), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(5), and one Co(1) atom. is represented by the CIF file [CIF]
data_Nb2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.723
_cell_length_c   7.448
_cell_angle_alpha   71.986
_cell_angle_beta   72.079
_cell_angle_gamma   73.595
_symmetry_Int_Tables_number   1
_cell_volume   215.879
_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
  Co  Co0  1  0.668  0.668  0.836  1.0
  Co  Co1  1  0.999  0.999  0.498  1.0
  Nb  Nb2  1  0.333  0.333  0.667  1.0
  Nb  Nb3  1  0.333  0.333  0.167  1.0
  Nb  Nb4  1  0.999  0.999  0.981  1.0
  Nb  Nb5  1  0.667  0.668  0.352  1.0
  O  O6  1  0.766  0.765  0.530  1.0
  O  O7  1  0.900  0.901  0.803  1.0
  O  O8  1  0.112  0.111  0.189  1.0
  O  O9  1  0.555  0.555  0.145  1.0
  O  O10  1  0.425  0.424  0.874  1.0
  O  O11  1  0.242  0.242  0.459  1.0
  O  O12  1  0.639  0.028  0.167  1.0
  O  O13  1  0.028  0.639  0.167  1.0
  O  O14  1  0.357  0.976  0.829  1.0
  O  O15  1  0.976  0.357  0.829  1.0
  O  O16  1  0.691  0.310  0.505  1.0
  O  O17  1  0.310  0.691  0.504  1.0
[/CIF]
.
The material structure described by CoNb2O6 is Hydrophilite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to two equivalent O(12), two equivalent O(5), and two equivalent O(9) atoms to form NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Co(2)O6 octahedra, and edges with two equivalent Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the second Nb site, Nb(2) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(6) atoms to form NbO6 octahedra that share corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and edges with two equivalent Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the third Nb site, Nb(3) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Nb(2)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the fourth Nb site, Nb(4) is bonded to one O(10), one O(11), one O(2), one O(4), and two equivalent O(7) atoms to form NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, corners with three equivalent Co(2)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, and  an edgeedge with one Nb(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the fifth Nb site, Nb(5) is bonded to one O(1), one O(12), one O(3), one O(9), and two equivalent O(8) atoms to form NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with three equivalent Nb(3)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, and  an edgeedge with one Nb(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-53°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(6) atom to form CoO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(4)O6 octahedra, corners with three equivalent Nb(5)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Co site, Co(2) is bonded to one O(1), one O(11), one O(2), one O(4), one O(5), and one O(9) atom to form CoO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Nb(5)O6 octahedra, corners with three equivalent Nb(4)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(5), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(4), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(5), and one Co(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Nb(3), one Nb(4), and one Co(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(3), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(3), and one Co(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Nb(3) and two equivalent Nb(4) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Nb(3) and two equivalent Nb(5) atoms. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(5), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Nb(2), one Nb(4), and one Co(2) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Nb(1), one Nb(5), and one Co(1) atom. is represented by the CIF file [CIF]
data_Nb2CoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.721
_cell_length_b   5.723
_cell_length_c   7.448
_cell_angle_alpha   71.986
_cell_angle_beta   72.079
_cell_angle_gamma   73.595
_symmetry_Int_Tables_number   1
_cell_volume   215.879
_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
  Co  Co0  1  0.668  0.668  0.836  1.0
  Co  Co1  1  0.999  0.999  0.498  1.0
  Nb  Nb2  1  0.333  0.333  0.667  1.0
  Nb  Nb3  1  0.333  0.333  0.167  1.0
  Nb  Nb4  1  0.999  0.999  0.981  1.0
  Nb  Nb5  1  0.667  0.668  0.352  1.0
  O  O6  1  0.766  0.765  0.530  1.0
  O  O7  1  0.900  0.901  0.803  1.0
  O  O8  1  0.112  0.111  0.189  1.0
  O  O9  1  0.555  0.555  0.145  1.0
  O  O10  1  0.425  0.424  0.874  1.0
  O  O11  1  0.242  0.242  0.459  1.0
  O  O12  1  0.639  0.028  0.167  1.0
  O  O13  1  0.028  0.639  0.167  1.0
  O  O14  1  0.357  0.976  0.829  1.0
  O  O15  1  0.976  0.357  0.829  1.0
  O  O16  1  0.691  0.310  0.505  1.0
  O  O17  1  0.310  0.691  0.504  1.0
[/CIF]
.