The crystal structure described by CsNbV2O8 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(10), two equivalent O(11), two equivalent O(3), two equivalent O(7), and three equivalent O(9) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(12), two equivalent O(5), and three equivalent O(8) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), two equivalent O(5), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. In the second V site, V(2) is bonded to one O(6), one O(9), and two equivalent O(7) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third V site, V(3) is bonded to one O(10), one O(11), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Nb(2)O6 octahedra and  a cornercorner with one V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. In the fourth V site, V(4) is bonded to one O(11), one O(12), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and  a cornercorner with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(2), one Nb(1), and one V(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(2), one Nb(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(2), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Nb(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(2), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Cs(2) and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cs(1) and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to two equivalent Cs(2) and one V(4) atom. is represented by the CIF file [CIF]
data_CsNbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.723
_cell_length_b   9.334
_cell_length_c   17.092
_cell_angle_alpha   74.203
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   878.632
_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
  Cs  Cs0  1  0.250  0.601  0.390  1.0
  Cs  Cs1  1  0.750  0.399  0.610  1.0
  Cs  Cs2  1  0.250  0.419  0.121  1.0
  Cs  Cs3  1  0.750  0.581  0.879  1.0
  Nb  Nb4  1  0.250  0.942  0.151  1.0
  Nb  Nb5  1  0.750  0.058  0.849  1.0
  Nb  Nb6  1  0.250  0.076  0.347  1.0
  Nb  Nb7  1  0.750  0.924  0.653  1.0
  V  V8  1  0.750  0.165  0.040  1.0
  V  V9  1  0.250  0.835  0.960  1.0
  V  V10  1  0.750  0.850  0.446  1.0
  V  V11  1  0.250  0.150  0.554  1.0
  V  V12  1  0.750  0.323  0.338  1.0
  V  V13  1  0.250  0.677  0.662  1.0
  V  V14  1  0.750  0.688  0.205  1.0
  V  V15  1  0.250  0.312  0.795  1.0
  O  O16  1  0.496  0.074  0.090  1.0
  O  O17  1  0.996  0.926  0.910  1.0
  O  O18  1  0.504  0.926  0.910  1.0
  O  O19  1  0.004  0.074  0.090  1.0
  O  O20  1  0.750  0.170  0.937  1.0
  O  O21  1  0.250  0.830  0.063  1.0
  O  O22  1  0.494  0.792  0.209  1.0
  O  O23  1  0.994  0.208  0.791  1.0
  O  O24  1  0.506  0.208  0.791  1.0
  O  O25  1  0.006  0.792  0.209  1.0
  O  O26  1  0.250  0.039  0.240  1.0
  O  O27  1  0.750  0.961  0.760  1.0
  O  O28  1  0.494  0.242  0.311  1.0
  O  O29  1  0.994  0.758  0.689  1.0
  O  O30  1  0.506  0.758  0.689  1.0
  O  O31  1  0.006  0.242  0.311  1.0
  O  O32  1  0.750  0.882  0.542  1.0
  O  O33  1  0.250  0.118  0.458  1.0
  O  O34  1  0.498  0.929  0.388  1.0
  O  O35  1  0.998  0.071  0.612  1.0
  O  O36  1  0.502  0.071  0.612  1.0
  O  O37  1  0.002  0.929  0.388  1.0
  O  O38  1  0.750  0.338  0.048  1.0
  O  O39  1  0.250  0.662  0.952  1.0
  O  O40  1  0.750  0.669  0.455  1.0
  O  O41  1  0.250  0.331  0.545  1.0
  O  O42  1  0.750  0.301  0.437  1.0
  O  O43  1  0.250  0.699  0.563  1.0
  O  O44  1  0.750  0.524  0.292  1.0
  O  O45  1  0.250  0.476  0.708  1.0
  O  O46  1  0.750  0.633  0.122  1.0
  O  O47  1  0.250  0.367  0.878  1.0
[/CIF]
.
The crystal structure described by CsNbV2O8 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 10-coordinate geometry to one O(10), two equivalent O(11), two equivalent O(3), two equivalent O(7), and three equivalent O(9) atoms. In the second Cs site, Cs(2) is bonded in a 11-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(12), two equivalent O(5), and three equivalent O(8) atoms. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(2)O6 octahedra, corners with two equivalent V(4)O4 tetrahedra, and corners with three equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. In the second Nb site, Nb(2) is bonded to one O(4), one O(6), two equivalent O(5), and two equivalent O(7) atoms to form NbO6 octahedra that share  a cornercorner with one Nb(1)O6 octahedra, corners with two equivalent V(3)O4 tetrahedra, and corners with three equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(8), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 10-30°. In the second V site, V(2) is bonded to one O(6), one O(9), and two equivalent O(7) atoms to form VO4 tetrahedra that share corners with three equivalent Nb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-23°. In the third V site, V(3) is bonded to one O(10), one O(11), and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Nb(2)O6 octahedra and  a cornercorner with one V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 34°. In the fourth V site, V(4) is bonded to one O(11), one O(12), and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Nb(1)O6 octahedra and  a cornercorner with one V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 30°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Cs(2), one Nb(1), and one V(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cs(2), one Nb(1), and one V(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(1), and one V(4) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Cs(2), one Nb(1), and one Nb(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(2), one Nb(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Nb(2) and one V(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cs(1), one Nb(2), and one V(2) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to three equivalent Cs(2) and one V(1) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one V(2) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cs(1) and one V(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to two equivalent Cs(1), one V(3), and one V(4) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to two equivalent Cs(2) and one V(4) atom. is represented by the CIF file [CIF]
data_CsNbV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.723
_cell_length_b   9.334
_cell_length_c   17.092
_cell_angle_alpha   74.203
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   878.632
_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
  Cs  Cs0  1  0.250  0.601  0.390  1.0
  Cs  Cs1  1  0.750  0.399  0.610  1.0
  Cs  Cs2  1  0.250  0.419  0.121  1.0
  Cs  Cs3  1  0.750  0.581  0.879  1.0
  Nb  Nb4  1  0.250  0.942  0.151  1.0
  Nb  Nb5  1  0.750  0.058  0.849  1.0
  Nb  Nb6  1  0.250  0.076  0.347  1.0
  Nb  Nb7  1  0.750  0.924  0.653  1.0
  V  V8  1  0.750  0.165  0.040  1.0
  V  V9  1  0.250  0.835  0.960  1.0
  V  V10  1  0.750  0.850  0.446  1.0
  V  V11  1  0.250  0.150  0.554  1.0
  V  V12  1  0.750  0.323  0.338  1.0
  V  V13  1  0.250  0.677  0.662  1.0
  V  V14  1  0.750  0.688  0.205  1.0
  V  V15  1  0.250  0.312  0.795  1.0
  O  O16  1  0.496  0.074  0.090  1.0
  O  O17  1  0.996  0.926  0.910  1.0
  O  O18  1  0.504  0.926  0.910  1.0
  O  O19  1  0.004  0.074  0.090  1.0
  O  O20  1  0.750  0.170  0.937  1.0
  O  O21  1  0.250  0.830  0.063  1.0
  O  O22  1  0.494  0.792  0.209  1.0
  O  O23  1  0.994  0.208  0.791  1.0
  O  O24  1  0.506  0.208  0.791  1.0
  O  O25  1  0.006  0.792  0.209  1.0
  O  O26  1  0.250  0.039  0.240  1.0
  O  O27  1  0.750  0.961  0.760  1.0
  O  O28  1  0.494  0.242  0.311  1.0
  O  O29  1  0.994  0.758  0.689  1.0
  O  O30  1  0.506  0.758  0.689  1.0
  O  O31  1  0.006  0.242  0.311  1.0
  O  O32  1  0.750  0.882  0.542  1.0
  O  O33  1  0.250  0.118  0.458  1.0
  O  O34  1  0.498  0.929  0.388  1.0
  O  O35  1  0.998  0.071  0.612  1.0
  O  O36  1  0.502  0.071  0.612  1.0
  O  O37  1  0.002  0.929  0.388  1.0
  O  O38  1  0.750  0.338  0.048  1.0
  O  O39  1  0.250  0.662  0.952  1.0
  O  O40  1  0.750  0.669  0.455  1.0
  O  O41  1  0.250  0.331  0.545  1.0
  O  O42  1  0.750  0.301  0.437  1.0
  O  O43  1  0.250  0.699  0.563  1.0
  O  O44  1  0.750  0.524  0.292  1.0
  O  O45  1  0.250  0.476  0.708  1.0
  O  O46  1  0.750  0.633  0.122  1.0
  O  O47  1  0.250  0.367  0.878  1.0
[/CIF]
.