The structure described by TaVO5 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(1) atom. is represented by the CIF file [CIF]
data_TaVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   6.990
_cell_length_c   11.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.265
_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
  Ta  Ta0  1  0.250  0.157  0.559  1.0
  Ta  Ta1  1  0.750  0.843  0.441  1.0
  Ta  Ta2  1  0.750  0.657  0.941  1.0
  Ta  Ta3  1  0.250  0.343  0.059  1.0
  V  V4  1  0.250  0.970  0.846  1.0
  V  V5  1  0.750  0.030  0.154  1.0
  V  V6  1  0.750  0.470  0.654  1.0
  V  V7  1  0.250  0.530  0.346  1.0
  O  O8  1  0.250  0.178  0.923  1.0
  O  O9  1  0.750  0.822  0.077  1.0
  O  O10  1  0.750  0.678  0.577  1.0
  O  O11  1  0.250  0.322  0.423  1.0
  O  O12  1  0.250  0.027  0.704  1.0
  O  O13  1  0.750  0.973  0.296  1.0
  O  O14  1  0.750  0.527  0.796  1.0
  O  O15  1  0.250  0.473  0.204  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.000  0.000  0.500  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.001  0.159  0.124  1.0
  O  O21  1  0.501  0.841  0.876  1.0
  O  O22  1  0.999  0.659  0.376  1.0
  O  O23  1  0.499  0.341  0.624  1.0
  O  O24  1  0.999  0.841  0.876  1.0
  O  O25  1  0.499  0.159  0.124  1.0
  O  O26  1  0.001  0.341  0.624  1.0
  O  O27  1  0.501  0.659  0.376  1.0
[/CIF]
.
The structure described by TaVO5 crystallizes in the orthorhombic Pnma space group. Ta(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form TaO6 octahedra that share corners with two equivalent Ta(1)O6 octahedra and corners with four equivalent V(1)O4 tetrahedra. The corner-sharing octahedra are not tilted. V(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form VO4 tetrahedra that share corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-22°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ta(1) and one V(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Ta(1) and one V(1) atom. In the third O site, O(3) is bonded in a linear geometry to two equivalent Ta(1) atoms. In the fourth O site, O(4) is bonded in a linear geometry to one Ta(1) and one V(1) atom. is represented by the CIF file [CIF]
data_TaVO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.563
_cell_length_b   6.990
_cell_length_c   11.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   463.265
_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
  Ta  Ta0  1  0.250  0.157  0.559  1.0
  Ta  Ta1  1  0.750  0.843  0.441  1.0
  Ta  Ta2  1  0.750  0.657  0.941  1.0
  Ta  Ta3  1  0.250  0.343  0.059  1.0
  V  V4  1  0.250  0.970  0.846  1.0
  V  V5  1  0.750  0.030  0.154  1.0
  V  V6  1  0.750  0.470  0.654  1.0
  V  V7  1  0.250  0.530  0.346  1.0
  O  O8  1  0.250  0.178  0.923  1.0
  O  O9  1  0.750  0.822  0.077  1.0
  O  O10  1  0.750  0.678  0.577  1.0
  O  O11  1  0.250  0.322  0.423  1.0
  O  O12  1  0.250  0.027  0.704  1.0
  O  O13  1  0.750  0.973  0.296  1.0
  O  O14  1  0.750  0.527  0.796  1.0
  O  O15  1  0.250  0.473  0.204  1.0
  O  O16  1  0.000  0.500  0.000  1.0
  O  O17  1  0.500  0.500  0.000  1.0
  O  O18  1  0.000  0.000  0.500  1.0
  O  O19  1  0.500  0.000  0.500  1.0
  O  O20  1  0.001  0.159  0.124  1.0
  O  O21  1  0.501  0.841  0.876  1.0
  O  O22  1  0.999  0.659  0.376  1.0
  O  O23  1  0.499  0.341  0.624  1.0
  O  O24  1  0.999  0.841  0.876  1.0
  O  O25  1  0.499  0.159  0.124  1.0
  O  O26  1  0.001  0.341  0.624  1.0
  O  O27  1  0.501  0.659  0.376  1.0
[/CIF]
.