The structure described by BaV6O11 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded to one O(6), one O(8), two equivalent O(4), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent V(4)O6 octahedra, edges with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent V(2)O6 octahedra, and faces with three equivalent V(3)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third V site, V(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form distorted VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)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 51-57°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth V site, V(5) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), one V(2), and one V(3) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one V(4), and one V(5) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), and two equivalent V(4) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one V(3), one V(4), and one V(5) atom. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one V(3), and two equivalent V(4) atoms. In the seventh O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(4) atoms. In the eighth O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   13.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.659
_symmetry_Int_Tables_number   1
_cell_volume   413.353
_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  0.665  0.335  0.752  1.0
  Ba  Ba1  1  0.335  0.665  0.252  1.0
  V  V2  1  0.669  0.331  0.254  1.0
  V  V3  1  0.331  0.669  0.754  1.0
  V  V4  1  0.003  0.997  0.648  1.0
  V  V5  1  0.997  0.003  0.148  1.0
  V  V6  1  0.995  0.005  0.859  1.0
  V  V7  1  0.005  0.995  0.359  1.0
  V  V8  1  0.489  0.990  0.004  1.0
  V  V9  1  0.499  0.501  0.503  1.0
  V  V10  1  0.990  0.489  0.504  1.0
  V  V11  1  0.010  0.511  0.004  1.0
  V  V12  1  0.501  0.499  0.003  1.0
  V  V13  1  0.511  0.010  0.504  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  0.668  0.332  0.417  1.0
  O  O17  1  0.332  0.668  0.917  1.0
  O  O18  1  0.847  0.703  0.254  1.0
  O  O19  1  0.145  0.855  0.756  1.0
  O  O20  1  0.703  0.847  0.754  1.0
  O  O21  1  0.297  0.153  0.254  1.0
  O  O22  1  0.855  0.145  0.256  1.0
  O  O23  1  0.153  0.297  0.754  1.0
  O  O24  1  0.827  0.648  0.581  1.0
  O  O25  1  0.172  0.828  0.086  1.0
  O  O26  1  0.648  0.827  0.081  1.0
  O  O27  1  0.352  0.173  0.581  1.0
  O  O28  1  0.162  0.342  0.423  1.0
  O  O29  1  0.837  0.163  0.922  1.0
  O  O30  1  0.342  0.162  0.923  1.0
  O  O31  1  0.658  0.838  0.423  1.0
  O  O32  1  0.163  0.837  0.422  1.0
  O  O33  1  0.838  0.658  0.923  1.0
  O  O34  1  0.173  0.352  0.081  1.0
  O  O35  1  0.828  0.172  0.586  1.0
[/CIF]
.
The structure described by BaV6O11 crystallizes in the orthorhombic Cmc2_1 space group. Ba(1) is bonded to one O(6), one O(8), two equivalent O(4), two equivalent O(5), two equivalent O(7), and four equivalent O(3) atoms to form distorted BaO12 cuboctahedra that share corners with six equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(5)O6 octahedra, edges with four equivalent V(4)O6 octahedra, edges with three equivalent V(1)O5 trigonal bipyramids, faces with three equivalent V(2)O6 octahedra, and faces with three equivalent V(3)O6 octahedra. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(3) atoms to form VO5 trigonal bipyramids that share corners with two equivalent V(5)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, corners with four equivalent V(4)O6 octahedra, and edges with three equivalent Ba(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-59°. In the second V site, V(2) is bonded to one O(4), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form distorted VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)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(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. In the third V site, V(3) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(7) atoms to form distorted VO6 octahedra that share corners with two equivalent V(5)O6 octahedra, corners with four equivalent V(4)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 51-57°. In the fourth V site, V(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(1)O5 trigonal bipyramids, edges with two equivalent Ba(1)O12 cuboctahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. In the fifth V site, V(5) is bonded to one O(1), one O(2), two equivalent O(5), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)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(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-57°. There are eight inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), one V(2), and one V(3) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Ba(1), one V(1), one V(2), and one V(3) atom. In the third O site, O(5) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), one V(4), and one V(5) atom. In the fourth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(1), one V(2), and two equivalent V(4) atoms. In the fifth O site, O(7) is bonded in a 4-coordinate geometry to one Ba(1), one V(3), one V(4), and one V(5) atom. In the sixth O site, O(8) is bonded in a 3-coordinate geometry to one Ba(1), one V(3), and two equivalent V(4) atoms. In the seventh O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(4) atoms. In the eighth O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), one V(5), and two equivalent V(4) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaV6O11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   13.552
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.659
_symmetry_Int_Tables_number   1
_cell_volume   413.353
_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  0.665  0.335  0.752  1.0
  Ba  Ba1  1  0.335  0.665  0.252  1.0
  V  V2  1  0.669  0.331  0.254  1.0
  V  V3  1  0.331  0.669  0.754  1.0
  V  V4  1  0.003  0.997  0.648  1.0
  V  V5  1  0.997  0.003  0.148  1.0
  V  V6  1  0.995  0.005  0.859  1.0
  V  V7  1  0.005  0.995  0.359  1.0
  V  V8  1  0.489  0.990  0.004  1.0
  V  V9  1  0.499  0.501  0.503  1.0
  V  V10  1  0.990  0.489  0.504  1.0
  V  V11  1  0.010  0.511  0.004  1.0
  V  V12  1  0.501  0.499  0.003  1.0
  V  V13  1  0.511  0.010  0.504  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  0.668  0.332  0.417  1.0
  O  O17  1  0.332  0.668  0.917  1.0
  O  O18  1  0.847  0.703  0.254  1.0
  O  O19  1  0.145  0.855  0.756  1.0
  O  O20  1  0.703  0.847  0.754  1.0
  O  O21  1  0.297  0.153  0.254  1.0
  O  O22  1  0.855  0.145  0.256  1.0
  O  O23  1  0.153  0.297  0.754  1.0
  O  O24  1  0.827  0.648  0.581  1.0
  O  O25  1  0.172  0.828  0.086  1.0
  O  O26  1  0.648  0.827  0.081  1.0
  O  O27  1  0.352  0.173  0.581  1.0
  O  O28  1  0.162  0.342  0.423  1.0
  O  O29  1  0.837  0.163  0.922  1.0
  O  O30  1  0.342  0.162  0.923  1.0
  O  O31  1  0.658  0.838  0.423  1.0
  O  O32  1  0.163  0.837  0.422  1.0
  O  O33  1  0.838  0.658  0.923  1.0
  O  O34  1  0.173  0.352  0.081  1.0
  O  O35  1  0.828  0.172  0.586  1.0
[/CIF]
.