The compound described by NbV3O8 is Hydrophilite-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 V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. 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 V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are six inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fourth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fifth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. 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 V(1), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one V(1), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(2), and one V(6) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Nb(1), one V(4), and one V(6) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Nb(2), one V(1), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one V(2), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Nb(2), one V(3), and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(2), and one V(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(1), one V(1), and one V(5) atom. is represented by the CIF card [CIF]
data_NbV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   9.399
_cell_length_c   6.062
_cell_angle_alpha   90.282
_cell_angle_beta   59.645
_cell_angle_gamma   90.220
_symmetry_Int_Tables_number   1
_cell_volume   293.126
_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  0.308  0.499  0.356  1.0
  Nb  Nb1  1  0.700  0.998  0.635  1.0
  V  V2  1  0.798  0.720  0.859  1.0
  V  V3  1  0.207  0.216  0.136  1.0
  V  V4  1  0.817  0.705  0.351  1.0
  V  V5  1  0.677  0.212  0.159  1.0
  V  V6  1  0.327  0.719  0.838  1.0
  V  V7  1  0.184  0.215  0.645  1.0
  O  O8  1  0.649  0.600  0.176  1.0
  O  O9  1  0.836  0.097  0.820  1.0
  O  O10  1  0.471  0.337  0.036  1.0
  O  O11  1  0.517  0.836  0.968  1.0
  O  O12  1  0.335  0.106  0.334  1.0
  O  O13  1  0.632  0.607  0.705  1.0
  O  O14  1  0.025  0.302  0.972  1.0
  O  O15  1  0.001  0.803  0.001  1.0
  O  O16  1  0.159  0.597  0.182  1.0
  O  O17  1  0.356  0.100  0.818  1.0
  O  O18  1  0.482  0.339  0.464  1.0
  O  O19  1  0.947  0.833  0.537  1.0
  O  O20  1  0.049  0.334  0.473  1.0
  O  O21  1  0.513  0.838  0.541  1.0
  O  O22  1  0.859  0.101  0.323  1.0
  O  O23  1  0.152  0.603  0.670  1.0
[/CIF]
.
The compound described by NbV3O8 is Hydrophilite-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 V(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, and  an edgeedge with one V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. 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 V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent V(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are six inequivalent V sites. In the first V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the second V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-55°. In the fourth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-52°. In the fifth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-50°. In the sixth V site, V(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 VO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-56°. 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 V(1), and one V(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(4), and one V(6) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Nb(1), one V(2), and one V(4) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Nb(2), one V(1), and one V(5) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one V(2), one V(4), and one V(6) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one V(1), one V(3), and one V(5) atom. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one V(2), one V(4), and one V(6) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one V(1), one V(3), and one V(5) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Nb(1), one V(3), and one V(5) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(2), and one V(6) atom. In the eleventh O site, O(11) is bonded in a trigonal non-coplanar geometry to one Nb(1), one V(4), and one V(6) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Nb(2), one V(1), and one V(3) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal non-coplanar geometry to one Nb(1), one V(2), and one V(6) atom. In the fourteenth O site, O(14) is bonded in a trigonal non-coplanar geometry to one Nb(2), one V(3), and one V(5) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Nb(2), one V(2), and one V(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Nb(1), one V(1), and one V(5) atom. is represented by the CIF card [CIF]
data_NbV3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.963
_cell_length_b   9.399
_cell_length_c   6.062
_cell_angle_alpha   90.282
_cell_angle_beta   59.645
_cell_angle_gamma   90.220
_symmetry_Int_Tables_number   1
_cell_volume   293.126
_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  0.308  0.499  0.356  1.0
  Nb  Nb1  1  0.700  0.998  0.635  1.0
  V  V2  1  0.798  0.720  0.859  1.0
  V  V3  1  0.207  0.216  0.136  1.0
  V  V4  1  0.817  0.705  0.351  1.0
  V  V5  1  0.677  0.212  0.159  1.0
  V  V6  1  0.327  0.719  0.838  1.0
  V  V7  1  0.184  0.215  0.645  1.0
  O  O8  1  0.649  0.600  0.176  1.0
  O  O9  1  0.836  0.097  0.820  1.0
  O  O10  1  0.471  0.337  0.036  1.0
  O  O11  1  0.517  0.836  0.968  1.0
  O  O12  1  0.335  0.106  0.334  1.0
  O  O13  1  0.632  0.607  0.705  1.0
  O  O14  1  0.025  0.302  0.972  1.0
  O  O15  1  0.001  0.803  0.001  1.0
  O  O16  1  0.159  0.597  0.182  1.0
  O  O17  1  0.356  0.100  0.818  1.0
  O  O18  1  0.482  0.339  0.464  1.0
  O  O19  1  0.947  0.833  0.537  1.0
  O  O20  1  0.049  0.334  0.473  1.0
  O  O21  1  0.513  0.838  0.541  1.0
  O  O22  1  0.859  0.101  0.323  1.0
  O  O23  1  0.152  0.603  0.670  1.0
[/CIF]
.