The crystal structure described by YbV4O8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, corners with two equivalent V(4)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(4)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  a cornercorner with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the fourth V site, V(4) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Yb(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one V(2) and two equivalent V(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded to one Yb(1), one V(2), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OYbV3 tetrahedra. In the sixth O site, O(6) is bonded to one Yb(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Yb(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   7.995
_cell_length_c   7.629
_cell_angle_alpha   82.041
_cell_angle_beta   91.573
_cell_angle_gamma   84.078
_symmetry_Int_Tables_number   1
_cell_volume   347.512
_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
  Yb  Yb0  1  0.123  0.199  0.839  1.0
  Yb  Yb1  1  0.877  0.801  0.161  1.0
  V  V2  1  0.336  0.784  0.915  1.0
  V  V3  1  0.159  0.417  0.174  1.0
  V  V4  1  0.311  0.992  0.286  1.0
  V  V5  1  0.253  0.570  0.505  1.0
  V  V6  1  0.747  0.430  0.495  1.0
  V  V7  1  0.689  0.008  0.714  1.0
  V  V8  1  0.841  0.583  0.826  1.0
  V  V9  1  0.664  0.216  0.085  1.0
  O  O10  1  0.251  0.815  0.429  1.0
  O  O11  1  0.431  0.454  0.343  1.0
  O  O12  1  0.386  0.988  0.742  1.0
  O  O13  1  0.153  0.174  0.327  1.0
  O  O14  1  0.043  0.453  0.667  1.0
  O  O15  1  0.101  0.639  0.981  1.0
  O  O16  1  0.206  0.947  0.077  1.0
  O  O17  1  0.371  0.305  0.012  1.0
  O  O18  1  0.629  0.695  0.988  1.0
  O  O19  1  0.794  0.053  0.923  1.0
  O  O20  1  0.899  0.361  0.019  1.0
  O  O21  1  0.957  0.547  0.333  1.0
  O  O22  1  0.847  0.826  0.673  1.0
  O  O23  1  0.614  0.012  0.258  1.0
  O  O24  1  0.569  0.546  0.657  1.0
  O  O25  1  0.749  0.185  0.571  1.0
[/CIF]
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The crystal structure described by YbV4O8 crystallizes in the triclinic P-1 space group. Yb(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(6), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 52-59°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), one O(8), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra, corners with three equivalent V(1)O4 tetrahedra, corners with two equivalent V(4)O5 trigonal bipyramids,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one V(4)O5 trigonal bipyramid. In the third V site, V(3) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O4 tetrahedra, and  a cornercorner with one V(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 55°. In the fourth V site, V(4) is bonded to one O(1), two equivalent O(2), and two equivalent O(5) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(2)O6 octahedra,  a cornercorner with one V(3)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-59°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Yb(1), one V(3), and one V(4) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one V(2) and two equivalent V(4) atoms. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Yb(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded to one Yb(1), one V(2), and two equivalent V(4) atoms to form a mixture of distorted corner and edge-sharing OYbV3 tetrahedra. In the sixth O site, O(6) is bonded to one Yb(1), one V(1), and two equivalent V(2) atoms to form a mixture of distorted corner and edge-sharing OYbV3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Yb(1), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Yb(1), one V(1), and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_YbV4O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.789
_cell_length_b   7.995
_cell_length_c   7.629
_cell_angle_alpha   82.041
_cell_angle_beta   91.573
_cell_angle_gamma   84.078
_symmetry_Int_Tables_number   1
_cell_volume   347.512
_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
  Yb  Yb0  1  0.123  0.199  0.839  1.0
  Yb  Yb1  1  0.877  0.801  0.161  1.0
  V  V2  1  0.336  0.784  0.915  1.0
  V  V3  1  0.159  0.417  0.174  1.0
  V  V4  1  0.311  0.992  0.286  1.0
  V  V5  1  0.253  0.570  0.505  1.0
  V  V6  1  0.747  0.430  0.495  1.0
  V  V7  1  0.689  0.008  0.714  1.0
  V  V8  1  0.841  0.583  0.826  1.0
  V  V9  1  0.664  0.216  0.085  1.0
  O  O10  1  0.251  0.815  0.429  1.0
  O  O11  1  0.431  0.454  0.343  1.0
  O  O12  1  0.386  0.988  0.742  1.0
  O  O13  1  0.153  0.174  0.327  1.0
  O  O14  1  0.043  0.453  0.667  1.0
  O  O15  1  0.101  0.639  0.981  1.0
  O  O16  1  0.206  0.947  0.077  1.0
  O  O17  1  0.371  0.305  0.012  1.0
  O  O18  1  0.629  0.695  0.988  1.0
  O  O19  1  0.794  0.053  0.923  1.0
  O  O20  1  0.899  0.361  0.019  1.0
  O  O21  1  0.957  0.547  0.333  1.0
  O  O22  1  0.847  0.826  0.673  1.0
  O  O23  1  0.614  0.012  0.258  1.0
  O  O24  1  0.569  0.546  0.657  1.0
  O  O25  1  0.749  0.185  0.571  1.0
[/CIF]
.