The material structure described by NbCo3O8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cc space group. Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.724
_cell_length_c   9.242
_cell_angle_alpha   89.598
_cell_angle_beta   90.201
_cell_angle_gamma   120.229
_symmetry_Int_Tables_number   1
_cell_volume   259.880
_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  0.333  0.674  0.499  1.0
  Nb  Nb1  1  0.667  0.341  0.999  1.0
  Co  Co2  1  0.170  0.832  0.215  1.0
  Co  Co3  1  0.169  0.338  0.214  1.0
  Co  Co4  1  0.664  0.833  0.216  1.0
  Co  Co5  1  0.336  0.168  0.716  1.0
  Co  Co6  1  0.830  0.662  0.715  1.0
  Co  Co7  1  0.831  0.169  0.714  1.0
  O  O8  1  0.163  0.837  0.600  1.0
  O  O9  1  0.037  0.512  0.328  1.0
  O  O10  1  0.339  0.671  0.112  1.0
  O  O11  1  0.995  0.997  0.311  1.0
  O  O12  1  0.005  0.001  0.811  1.0
  O  O13  1  0.160  0.326  0.601  1.0
  O  O14  1  0.487  0.963  0.332  1.0
  O  O15  1  0.482  0.515  0.328  1.0
  O  O16  1  0.327  0.166  0.103  1.0
  O  O17  1  0.673  0.839  0.603  1.0
  O  O18  1  0.513  0.476  0.832  1.0
  O  O19  1  0.518  0.033  0.828  1.0
  O  O20  1  0.661  0.332  0.612  1.0
  O  O21  1  0.837  0.674  0.100  1.0
  O  O22  1  0.963  0.476  0.828  1.0
  O  O23  1  0.840  0.166  0.101  1.0
[/CIF]
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The material structure described by NbCo3O8 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic Cc space group. Nb(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the third Co site, Co(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(1), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(2), and one Co(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(2), and one Co(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(1), and one Co(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Nb(1), one Co(2), and one Co(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(1), and one Co(2) atom. is represented by the CIF card [CIF]
data_NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.685
_cell_length_b   5.724
_cell_length_c   9.242
_cell_angle_alpha   89.598
_cell_angle_beta   90.201
_cell_angle_gamma   120.229
_symmetry_Int_Tables_number   1
_cell_volume   259.880
_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  0.333  0.674  0.499  1.0
  Nb  Nb1  1  0.667  0.341  0.999  1.0
  Co  Co2  1  0.170  0.832  0.215  1.0
  Co  Co3  1  0.169  0.338  0.214  1.0
  Co  Co4  1  0.664  0.833  0.216  1.0
  Co  Co5  1  0.336  0.168  0.716  1.0
  Co  Co6  1  0.830  0.662  0.715  1.0
  Co  Co7  1  0.831  0.169  0.714  1.0
  O  O8  1  0.163  0.837  0.600  1.0
  O  O9  1  0.037  0.512  0.328  1.0
  O  O10  1  0.339  0.671  0.112  1.0
  O  O11  1  0.995  0.997  0.311  1.0
  O  O12  1  0.005  0.001  0.811  1.0
  O  O13  1  0.160  0.326  0.601  1.0
  O  O14  1  0.487  0.963  0.332  1.0
  O  O15  1  0.482  0.515  0.328  1.0
  O  O16  1  0.327  0.166  0.103  1.0
  O  O17  1  0.673  0.839  0.603  1.0
  O  O18  1  0.513  0.476  0.832  1.0
  O  O19  1  0.518  0.033  0.828  1.0
  O  O20  1  0.661  0.332  0.612  1.0
  O  O21  1  0.837  0.674  0.100  1.0
  O  O22  1  0.963  0.476  0.828  1.0
  O  O23  1  0.840  0.166  0.101  1.0
[/CIF]
.