The crystal structure described by BaV6O11 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(4)O6 octahedra, edges with four equivalent V(3)O6 octahedra, edges with three equivalent V(1)O5 trigonal bipyramids, and faces with six equivalent V(2)O6 octahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, corners with six equivalent V(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second V site, V(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fourth V site, V(4) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), and two equivalent V(3) atoms. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_BaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   13.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.340
_symmetry_Int_Tables_number   1
_cell_volume   414.968
_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
  Ba  Ba0  1  0.670  0.330  0.750  1.0
  Ba  Ba1  1  0.330  0.670  0.250  1.0
  V  V2  1  0.666  0.334  0.250  1.0
  V  V3  1  0.334  0.666  0.750  1.0
  V  V4  1  0.004  0.996  0.647  1.0
  V  V5  1  0.996  0.004  0.147  1.0
  V  V6  1  0.004  0.996  0.853  1.0
  V  V7  1  0.996  0.004  0.353  1.0
  V  V8  1  0.500  0.000  0.000  1.0
  V  V9  1  0.500  0.500  0.500  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  V  V12  1  0.500  0.500  0.000  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.673  0.327  0.084  1.0
  O  O15  1  0.327  0.673  0.584  1.0
  O  O16  1  0.673  0.327  0.416  1.0
  O  O17  1  0.327  0.673  0.916  1.0
  O  O18  1  0.850  0.707  0.250  1.0
  O  O19  1  0.152  0.848  0.750  1.0
  O  O20  1  0.707  0.850  0.750  1.0
  O  O21  1  0.293  0.150  0.250  1.0
  O  O22  1  0.848  0.152  0.250  1.0
  O  O23  1  0.150  0.293  0.750  1.0
  O  O24  1  0.833  0.651  0.577  1.0
  O  O25  1  0.175  0.825  0.076  1.0
  O  O26  1  0.651  0.833  0.077  1.0
  O  O27  1  0.349  0.167  0.577  1.0
  O  O28  1  0.167  0.349  0.423  1.0
  O  O29  1  0.825  0.175  0.924  1.0
  O  O30  1  0.349  0.167  0.923  1.0
  O  O31  1  0.651  0.833  0.423  1.0
  O  O32  1  0.175  0.825  0.424  1.0
  O  O33  1  0.833  0.651  0.923  1.0
  O  O34  1  0.167  0.349  0.077  1.0
  O  O35  1  0.825  0.175  0.576  1.0
[/CIF]
.
The crystal structure described by BaV6O11 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded to two equivalent O(3), two equivalent O(5), four equivalent O(2), and four equivalent O(4) atoms to form BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(4)O6 octahedra, edges with four equivalent V(3)O6 octahedra, edges with three equivalent V(1)O5 trigonal bipyramids, and faces with six equivalent V(2)O6 octahedra. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, corners with six equivalent V(2)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 42-59°. In the second V site, V(2) is bonded to one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with two equivalent V(4)O6 octahedra, corners with four equivalent V(3)O6 octahedra, corners with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent Ba(1)O12 cuboctahedra, and  a faceface with one V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-54°. In the fourth V site, V(4) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form VO6 octahedra that share corners with four equivalent V(2)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, and edges with four equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are five inequivalent O sites. In the first O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), and two equivalent V(2) atoms. In the second O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), and two equivalent V(2) atoms. In the third O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one V(2), one V(3), and one V(4) atom. In the fourth O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), and two equivalent V(3) atoms. In the fifth O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(4), and two equivalent V(3) atoms. is represented by the CIF card [CIF]
data_BaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.959
_cell_length_b   5.959
_cell_length_c   13.542
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.340
_symmetry_Int_Tables_number   1
_cell_volume   414.968
_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
  Ba  Ba0  1  0.670  0.330  0.750  1.0
  Ba  Ba1  1  0.330  0.670  0.250  1.0
  V  V2  1  0.666  0.334  0.250  1.0
  V  V3  1  0.334  0.666  0.750  1.0
  V  V4  1  0.004  0.996  0.647  1.0
  V  V5  1  0.996  0.004  0.147  1.0
  V  V6  1  0.004  0.996  0.853  1.0
  V  V7  1  0.996  0.004  0.353  1.0
  V  V8  1  0.500  0.000  0.000  1.0
  V  V9  1  0.500  0.500  0.500  1.0
  V  V10  1  0.000  0.500  0.500  1.0
  V  V11  1  0.000  0.500  0.000  1.0
  V  V12  1  0.500  0.500  0.000  1.0
  V  V13  1  0.500  0.000  0.500  1.0
  O  O14  1  0.673  0.327  0.084  1.0
  O  O15  1  0.327  0.673  0.584  1.0
  O  O16  1  0.673  0.327  0.416  1.0
  O  O17  1  0.327  0.673  0.916  1.0
  O  O18  1  0.850  0.707  0.250  1.0
  O  O19  1  0.152  0.848  0.750  1.0
  O  O20  1  0.707  0.850  0.750  1.0
  O  O21  1  0.293  0.150  0.250  1.0
  O  O22  1  0.848  0.152  0.250  1.0
  O  O23  1  0.150  0.293  0.750  1.0
  O  O24  1  0.833  0.651  0.577  1.0
  O  O25  1  0.175  0.825  0.076  1.0
  O  O26  1  0.651  0.833  0.077  1.0
  O  O27  1  0.349  0.167  0.577  1.0
  O  O28  1  0.167  0.349  0.423  1.0
  O  O29  1  0.825  0.175  0.924  1.0
  O  O30  1  0.349  0.167  0.923  1.0
  O  O31  1  0.651  0.833  0.423  1.0
  O  O32  1  0.175  0.825  0.424  1.0
  O  O33  1  0.833  0.651  0.923  1.0
  O  O34  1  0.167  0.349  0.077  1.0
  O  O35  1  0.825  0.175  0.576  1.0
[/CIF]
.