The compound described by NbCo3O8 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(11), one O(13), one O(16), one O(3), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second Nb site, Nb(2) is bonded to one O(10), one O(12), one O(14), one O(15), one O(2), and one O(4) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(16), 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(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(14), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the fourth Co site, Co(4) is bonded to one O(11), one O(15), one O(2), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Co site, Co(5) is bonded to one O(14), one O(16), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)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 52°. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 planar geometry to one Nb(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(1), and one Co(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(3), and one Co(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Co(2), and one Co(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Nb(1), one Co(4), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(1), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(2), and one Co(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(3), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(2), one Co(2), and one Co(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Nb(1), one Co(1), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.728
_cell_length_b   5.764
_cell_length_c   9.276
_cell_angle_alpha   91.829
_cell_angle_beta   89.609
_cell_angle_gamma   60.400
_symmetry_Int_Tables_number   1
_cell_volume   266.059
_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  0.682  0.640  0.504  1.0
  Nb  Nb1  1  0.331  0.328  0.994  1.0
  Co  Co2  1  0.170  0.659  0.714  1.0
  Co  Co3  1  0.824  0.344  0.215  1.0
  Co  Co4  1  0.170  0.166  0.713  1.0
  Co  Co5  1  0.331  0.842  0.216  1.0
  Co  Co6  1  0.665  0.166  0.714  1.0
  Co  Co7  1  0.829  0.837  0.216  1.0
  O  O8  1  0.329  0.826  0.600  1.0
  O  O9  1  0.154  0.680  0.101  1.0
  O  O10  1  0.526  0.514  0.335  1.0
  O  O11  1  0.477  0.489  0.825  1.0
  O  O12  1  0.691  0.648  0.111  1.0
  O  O13  1  0.344  0.322  0.612  1.0
  O  O14  1  0.972  0.028  0.308  1.0
  O  O15  1  0.992  0.007  0.810  1.0
  O  O16  1  0.841  0.318  0.604  1.0
  O  O17  1  0.656  0.189  0.094  1.0
  O  O18  1  0.532  0.962  0.334  1.0
  O  O19  1  0.036  0.489  0.826  1.0
  O  O20  1  0.965  0.504  0.339  1.0
  O  O21  1  0.481  0.041  0.828  1.0
  O  O22  1  0.156  0.177  0.098  1.0
  O  O23  1  0.845  0.828  0.603  1.0
[/CIF]
.
The compound described by NbCo3O8 is beta Vanadium nitride-derived structured and crystallizes in the triclinic P1 space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(1), one O(11), one O(13), one O(16), one O(3), and one O(9) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Co(5)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(4)O6 octahedra, and  an edgeedge with one Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the second Nb site, Nb(2) is bonded to one O(10), one O(12), one O(14), one O(15), one O(2), and one O(4) atom to form distorted NbO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(4)O6 octahedra, corners with two equivalent Co(6)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-54°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(16), 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(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Co site, Co(2) is bonded to one O(10), one O(13), one O(15), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(4)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. In the third Co site, Co(3) is bonded to one O(1), one O(12), one O(14), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. In the fourth Co site, Co(4) is bonded to one O(11), one O(15), one O(2), one O(3), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(6)O6 octahedra. The corner-sharing octahedral tilt angles are 53°. In the fifth Co site, Co(5) is bonded to one O(14), one O(16), one O(4), one O(6), one O(8), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)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 52°. In the sixth Co site, Co(6) is bonded to one O(10), one O(11), one O(13), one O(2), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 planar geometry to one Nb(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(2), and one Co(4) atom. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(1), and one Co(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Co(2), one Co(4), and one Co(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Co(2), one Co(4), and one Co(6) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Co(1), one Co(3), and one Co(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one Co(3), and one Co(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one Co(2), and one Co(6) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Nb(1), one Co(4), and one Co(6) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(1), and one Co(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one Co(2), and one Co(6) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Nb(2), one Co(3), and one Co(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(2), one Co(2), and one Co(4) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Nb(1), one Co(1), and one Co(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbCo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.728
_cell_length_b   5.764
_cell_length_c   9.276
_cell_angle_alpha   91.829
_cell_angle_beta   89.609
_cell_angle_gamma   60.400
_symmetry_Int_Tables_number   1
_cell_volume   266.059
_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  0.682  0.640  0.504  1.0
  Nb  Nb1  1  0.331  0.328  0.994  1.0
  Co  Co2  1  0.170  0.659  0.714  1.0
  Co  Co3  1  0.824  0.344  0.215  1.0
  Co  Co4  1  0.170  0.166  0.713  1.0
  Co  Co5  1  0.331  0.842  0.216  1.0
  Co  Co6  1  0.665  0.166  0.714  1.0
  Co  Co7  1  0.829  0.837  0.216  1.0
  O  O8  1  0.329  0.826  0.600  1.0
  O  O9  1  0.154  0.680  0.101  1.0
  O  O10  1  0.526  0.514  0.335  1.0
  O  O11  1  0.477  0.489  0.825  1.0
  O  O12  1  0.691  0.648  0.111  1.0
  O  O13  1  0.344  0.322  0.612  1.0
  O  O14  1  0.972  0.028  0.308  1.0
  O  O15  1  0.992  0.007  0.810  1.0
  O  O16  1  0.841  0.318  0.604  1.0
  O  O17  1  0.656  0.189  0.094  1.0
  O  O18  1  0.532  0.962  0.334  1.0
  O  O19  1  0.036  0.489  0.826  1.0
  O  O20  1  0.965  0.504  0.339  1.0
  O  O21  1  0.481  0.041  0.828  1.0
  O  O22  1  0.156  0.177  0.098  1.0
  O  O23  1  0.845  0.828  0.603  1.0
[/CIF]
.