The material structure described by Ba12V4O19 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Ba site, Ba(4) is bonded to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted BaO7 pentagonal bipyramids that share  a cornercorner with one Ba(4)O7 pentagonal bipyramid, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ba(6)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the sixth Ba site, Ba(6) is bonded to one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BaO7 pentagonal bipyramids that share  a cornercorner with one Ba(6)O7 pentagonal bipyramid, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ba(4)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Ba(4)O7 pentagonal bipyramid,  a cornercorner with one Ba(6)O7 pentagonal bipyramid,  an edgeedge with one Ba(4)O7 pentagonal bipyramid, and  an edgeedge with one Ba(6)O7 pentagonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Ba(6), and one V(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Ba(6), two equivalent Ba(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Ba(5) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ba(6) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 33°. is represented by the CIF card [CIF]
data_Ba12V4O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.982
_cell_length_b   7.982
_cell_length_c   10.431
_cell_angle_alpha   89.947
_cell_angle_beta   89.947
_cell_angle_gamma   98.665
_symmetry_Int_Tables_number   1
_cell_volume   657.059
_cell_formula_units_Z   1
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  0.737  0.263  0.500  1.0
  Ba  Ba1  1  0.254  0.746  0.000  1.0
  Ba  Ba2  1  0.746  0.254  0.000  1.0
  Ba  Ba3  1  0.263  0.737  0.500  1.0
  Ba  Ba4  1  0.574  0.574  0.246  1.0
  Ba  Ba5  1  0.071  0.071  0.762  1.0
  Ba  Ba6  1  0.426  0.426  0.754  1.0
  Ba  Ba7  1  0.929  0.929  0.238  1.0
  Ba  Ba8  1  0.747  0.747  0.927  1.0
  Ba  Ba9  1  0.258  0.258  0.427  1.0
  Ba  Ba10  1  0.253  0.253  0.073  1.0
  Ba  Ba11  1  0.742  0.742  0.573  1.0
  V  V12  1  0.501  0.001  0.253  1.0
  V  V13  1  0.999  0.499  0.747  1.0
  V  V14  1  0.001  0.501  0.253  1.0
  V  V15  1  0.499  0.999  0.747  1.0
  O  O16  1  0.266  0.960  0.262  1.0
  O  O17  1  0.765  0.460  0.748  1.0
  O  O18  1  0.540  0.235  0.252  1.0
  O  O19  1  0.040  0.734  0.738  1.0
  O  O20  1  0.907  0.606  0.388  1.0
  O  O21  1  0.405  0.094  0.887  1.0
  O  O22  1  0.906  0.595  0.113  1.0
  O  O23  1  0.394  0.093  0.612  1.0
  O  O24  1  0.235  0.540  0.252  1.0
  O  O25  1  0.734  0.040  0.738  1.0
  O  O26  1  0.960  0.266  0.262  1.0
  O  O27  1  0.460  0.765  0.748  1.0
  O  O28  1  0.595  0.906  0.113  1.0
  O  O29  1  0.093  0.394  0.612  1.0
  O  O30  1  0.606  0.907  0.388  1.0
  O  O31  1  0.094  0.405  0.887  1.0
  O  O32  1  0.500  0.500  0.000  1.0
  O  O33  1  0.000  0.000  0.000  1.0
  O  O34  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material structure described by Ba12V4O19 crystallizes in the monoclinic C2/m space group. There are six inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(7), two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(5), one O(7), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the fourth Ba site, Ba(4) is bonded to one O(6), two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted BaO7 pentagonal bipyramids that share  a cornercorner with one Ba(4)O7 pentagonal bipyramid, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ba(6)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. In the fifth Ba site, Ba(5) is bonded in a 8-coordinate geometry to one O(5), one O(6), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the sixth Ba site, Ba(6) is bonded to one O(7), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted BaO7 pentagonal bipyramids that share  a cornercorner with one Ba(6)O7 pentagonal bipyramid, corners with two equivalent V(1)O4 tetrahedra, edges with two equivalent Ba(4)O7 pentagonal bipyramids, and edges with two equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form VO4 tetrahedra that share  a cornercorner with one Ba(4)O7 pentagonal bipyramid,  a cornercorner with one Ba(6)O7 pentagonal bipyramid,  an edgeedge with one Ba(4)O7 pentagonal bipyramid, and  an edgeedge with one Ba(6)O7 pentagonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(4), one Ba(5), one Ba(6), and one V(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Ba(1), one Ba(2), one Ba(3), one Ba(5), one Ba(6), and one V(1) atom. In the third O site, O(3) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Ba(6), two equivalent Ba(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Ba(3), one Ba(4), one Ba(5), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(5) is bonded to two equivalent Ba(2), two equivalent Ba(3), and two equivalent Ba(5) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the sixth O site, O(6) is bonded to two equivalent Ba(2), two equivalent Ba(4), and two equivalent Ba(5) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-33°. In the seventh O site, O(7) is bonded to two equivalent Ba(1), two equivalent Ba(3), and two equivalent Ba(6) atoms to form corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles are 33°. is represented by the CIF card [CIF]
data_Ba12V4O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.982
_cell_length_b   7.982
_cell_length_c   10.431
_cell_angle_alpha   89.947
_cell_angle_beta   89.947
_cell_angle_gamma   98.665
_symmetry_Int_Tables_number   1
_cell_volume   657.059
_cell_formula_units_Z   1
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  0.737  0.263  0.500  1.0
  Ba  Ba1  1  0.254  0.746  0.000  1.0
  Ba  Ba2  1  0.746  0.254  0.000  1.0
  Ba  Ba3  1  0.263  0.737  0.500  1.0
  Ba  Ba4  1  0.574  0.574  0.246  1.0
  Ba  Ba5  1  0.071  0.071  0.762  1.0
  Ba  Ba6  1  0.426  0.426  0.754  1.0
  Ba  Ba7  1  0.929  0.929  0.238  1.0
  Ba  Ba8  1  0.747  0.747  0.927  1.0
  Ba  Ba9  1  0.258  0.258  0.427  1.0
  Ba  Ba10  1  0.253  0.253  0.073  1.0
  Ba  Ba11  1  0.742  0.742  0.573  1.0
  V  V12  1  0.501  0.001  0.253  1.0
  V  V13  1  0.999  0.499  0.747  1.0
  V  V14  1  0.001  0.501  0.253  1.0
  V  V15  1  0.499  0.999  0.747  1.0
  O  O16  1  0.266  0.960  0.262  1.0
  O  O17  1  0.765  0.460  0.748  1.0
  O  O18  1  0.540  0.235  0.252  1.0
  O  O19  1  0.040  0.734  0.738  1.0
  O  O20  1  0.907  0.606  0.388  1.0
  O  O21  1  0.405  0.094  0.887  1.0
  O  O22  1  0.906  0.595  0.113  1.0
  O  O23  1  0.394  0.093  0.612  1.0
  O  O24  1  0.235  0.540  0.252  1.0
  O  O25  1  0.734  0.040  0.738  1.0
  O  O26  1  0.960  0.266  0.262  1.0
  O  O27  1  0.460  0.765  0.748  1.0
  O  O28  1  0.595  0.906  0.113  1.0
  O  O29  1  0.093  0.394  0.612  1.0
  O  O30  1  0.606  0.907  0.388  1.0
  O  O31  1  0.094  0.405  0.887  1.0
  O  O32  1  0.500  0.500  0.000  1.0
  O  O33  1  0.000  0.000  0.000  1.0
  O  O34  1  0.500  0.500  0.500  1.0
[/CIF]
.