The crystal structure described by KTaV2O8 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), two equivalent O(6), and four equivalent O(2) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent K(1), one Ta(1), and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one V(1) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to two equivalent K(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ta(1), and one V(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Ta(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTaV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   8.720
_cell_length_c   15.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.897
_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
  K  K0  1  0.250  0.948  0.877  1.0
  K  K1  1  0.250  0.552  0.377  1.0
  K  K2  1  0.750  0.052  0.123  1.0
  K  K3  1  0.750  0.448  0.623  1.0
  Ta  Ta4  1  0.250  0.813  0.618  1.0
  Ta  Ta5  1  0.250  0.687  0.118  1.0
  Ta  Ta6  1  0.750  0.187  0.382  1.0
  Ta  Ta7  1  0.750  0.313  0.882  1.0
  V  V8  1  0.250  0.512  0.786  1.0
  V  V9  1  0.250  0.988  0.286  1.0
  V  V10  1  0.750  0.488  0.214  1.0
  V  V11  1  0.750  0.012  0.714  1.0
  V  V12  1  0.250  0.208  0.528  1.0
  V  V13  1  0.250  0.292  0.028  1.0
  V  V14  1  0.750  0.792  0.472  1.0
  V  V15  1  0.750  0.708  0.972  1.0
  O  O16  1  0.009  0.898  0.701  1.0
  O  O17  1  0.491  0.602  0.201  1.0
  O  O18  1  0.509  0.102  0.299  1.0
  O  O19  1  0.991  0.398  0.799  1.0
  O  O20  1  0.991  0.102  0.299  1.0
  O  O21  1  0.509  0.398  0.799  1.0
  O  O22  1  0.491  0.898  0.701  1.0
  O  O23  1  0.009  0.602  0.201  1.0
  O  O24  1  1.000  0.734  0.538  1.0
  O  O25  1  0.500  0.766  0.038  1.0
  O  O26  1  0.500  0.266  0.462  1.0
  O  O27  1  0.000  0.234  0.962  1.0
  O  O28  1  0.000  0.266  0.462  1.0
  O  O29  1  0.500  0.234  0.962  1.0
  O  O30  1  0.500  0.734  0.538  1.0
  O  O31  1  1.000  0.766  0.038  1.0
  O  O32  1  0.250  0.617  0.684  1.0
  O  O33  1  0.250  0.883  0.184  1.0
  O  O34  1  0.750  0.383  0.316  1.0
  O  O35  1  0.750  0.117  0.816  1.0
  O  O36  1  0.250  0.011  0.553  1.0
  O  O37  1  0.250  0.489  0.053  1.0
  O  O38  1  0.750  0.989  0.447  1.0
  O  O39  1  0.750  0.511  0.947  1.0
  O  O40  1  0.250  0.639  0.866  1.0
  O  O41  1  0.250  0.861  0.366  1.0
  O  O42  1  0.750  0.361  0.134  1.0
  O  O43  1  0.750  0.139  0.634  1.0
  O  O44  1  0.750  0.811  0.882  1.0
  O  O45  1  0.750  0.689  0.382  1.0
  O  O46  1  0.250  0.189  0.118  1.0
  O  O47  1  0.250  0.311  0.618  1.0
[/CIF]
.
The crystal structure described by KTaV2O8 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 11-coordinate geometry to one O(5), two equivalent O(1), two equivalent O(3), two equivalent O(6), and four equivalent O(2) atoms. Ta(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form TaO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-33°. In the second V site, V(2) is bonded to one O(4), one O(6), and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are six inequivalent O sites. In the first O site, O(3) is bonded in a bent 150 degrees geometry to two equivalent K(1), one Ta(1), and one V(1) atom. In the second O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(2) atom. In the third O site, O(5) is bonded in a distorted single-bond geometry to one K(1) and one V(1) atom. In the fourth O site, O(6) is bonded in a single-bond geometry to two equivalent K(1) and one V(2) atom. In the fifth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one Ta(1), and one V(1) atom. In the sixth O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent K(1), one Ta(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KTaV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.669
_cell_length_b   8.720
_cell_length_c   15.190
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   750.897
_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
  K  K0  1  0.250  0.948  0.877  1.0
  K  K1  1  0.250  0.552  0.377  1.0
  K  K2  1  0.750  0.052  0.123  1.0
  K  K3  1  0.750  0.448  0.623  1.0
  Ta  Ta4  1  0.250  0.813  0.618  1.0
  Ta  Ta5  1  0.250  0.687  0.118  1.0
  Ta  Ta6  1  0.750  0.187  0.382  1.0
  Ta  Ta7  1  0.750  0.313  0.882  1.0
  V  V8  1  0.250  0.512  0.786  1.0
  V  V9  1  0.250  0.988  0.286  1.0
  V  V10  1  0.750  0.488  0.214  1.0
  V  V11  1  0.750  0.012  0.714  1.0
  V  V12  1  0.250  0.208  0.528  1.0
  V  V13  1  0.250  0.292  0.028  1.0
  V  V14  1  0.750  0.792  0.472  1.0
  V  V15  1  0.750  0.708  0.972  1.0
  O  O16  1  0.009  0.898  0.701  1.0
  O  O17  1  0.491  0.602  0.201  1.0
  O  O18  1  0.509  0.102  0.299  1.0
  O  O19  1  0.991  0.398  0.799  1.0
  O  O20  1  0.991  0.102  0.299  1.0
  O  O21  1  0.509  0.398  0.799  1.0
  O  O22  1  0.491  0.898  0.701  1.0
  O  O23  1  0.009  0.602  0.201  1.0
  O  O24  1  1.000  0.734  0.538  1.0
  O  O25  1  0.500  0.766  0.038  1.0
  O  O26  1  0.500  0.266  0.462  1.0
  O  O27  1  0.000  0.234  0.962  1.0
  O  O28  1  0.000  0.266  0.462  1.0
  O  O29  1  0.500  0.234  0.962  1.0
  O  O30  1  0.500  0.734  0.538  1.0
  O  O31  1  1.000  0.766  0.038  1.0
  O  O32  1  0.250  0.617  0.684  1.0
  O  O33  1  0.250  0.883  0.184  1.0
  O  O34  1  0.750  0.383  0.316  1.0
  O  O35  1  0.750  0.117  0.816  1.0
  O  O36  1  0.250  0.011  0.553  1.0
  O  O37  1  0.250  0.489  0.053  1.0
  O  O38  1  0.750  0.989  0.447  1.0
  O  O39  1  0.750  0.511  0.947  1.0
  O  O40  1  0.250  0.639  0.866  1.0
  O  O41  1  0.250  0.861  0.366  1.0
  O  O42  1  0.750  0.361  0.134  1.0
  O  O43  1  0.750  0.139  0.634  1.0
  O  O44  1  0.750  0.811  0.882  1.0
  O  O45  1  0.750  0.689  0.382  1.0
  O  O46  1  0.250  0.189  0.118  1.0
  O  O47  1  0.250  0.311  0.618  1.0
[/CIF]
.