The crystal structure described by Ba3V4O13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent V(1) atoms. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom. is represented by the CIF file [CIF]
data_Ba3V4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.193
_cell_length_b   9.193
_cell_length_c   10.262
_cell_angle_alpha   70.607
_cell_angle_beta   70.607
_cell_angle_gamma   58.066
_symmetry_Int_Tables_number   1
_cell_volume   680.782
_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  0.105  0.895  0.750  1.0
  Ba  Ba1  1  0.895  0.105  0.250  1.0
  Ba  Ba2  1  0.966  0.627  0.192  1.0
  Ba  Ba3  1  0.373  0.034  0.308  1.0
  Ba  Ba4  1  0.034  0.373  0.808  1.0
  Ba  Ba5  1  0.627  0.966  0.692  1.0
  V  V6  1  0.632  0.592  0.134  1.0
  V  V7  1  0.408  0.368  0.366  1.0
  V  V8  1  0.368  0.408  0.866  1.0
  V  V9  1  0.592  0.632  0.634  1.0
  V  V10  1  0.283  0.899  0.000  1.0
  V  V11  1  0.101  0.717  0.500  1.0
  V  V12  1  0.717  0.101  1.000  1.0
  V  V13  1  0.899  0.283  0.500  1.0
  O  O14  1  0.571  0.429  0.250  1.0
  O  O15  1  0.429  0.571  0.750  1.0
  O  O16  1  0.281  0.009  0.831  1.0
  O  O17  1  0.991  0.719  0.669  1.0
  O  O18  1  0.719  0.991  0.169  1.0
  O  O19  1  0.009  0.281  0.331  1.0
  O  O20  1  0.140  0.820  0.045  1.0
  O  O21  1  0.180  0.860  0.455  1.0
  O  O22  1  0.860  0.180  0.955  1.0
  O  O23  1  0.820  0.140  0.545  1.0
  O  O24  1  0.223  0.036  0.107  1.0
  O  O25  1  0.964  0.777  0.393  1.0
  O  O26  1  0.777  0.964  0.893  1.0
  O  O27  1  0.036  0.223  0.607  1.0
  O  O28  1  0.723  0.505  0.502  1.0
  O  O29  1  0.495  0.277  0.998  1.0
  O  O30  1  0.277  0.495  0.498  1.0
  O  O31  1  0.505  0.723  0.002  1.0
  O  O32  1  0.482  0.842  0.564  1.0
  O  O33  1  0.158  0.518  0.936  1.0
  O  O34  1  0.615  0.719  0.227  1.0
  O  O35  1  0.842  0.482  0.064  1.0
  O  O36  1  0.719  0.615  0.727  1.0
  O  O37  1  0.385  0.281  0.773  1.0
  O  O38  1  0.281  0.385  0.273  1.0
  O  O39  1  0.518  0.158  0.436  1.0
[/CIF]
.
The crystal structure described by Ba3V4O13 crystallizes in the monoclinic C2/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(5), one O(6), and one O(7) atom to form corner-sharing VO4 tetrahedra. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing VO4 tetrahedra. There are seven inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ba(2), two equivalent Ba(1), and one V(2) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one V(2) atom. In the third O site, O(5) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(1) atom. In the fifth O site, O(7) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one V(1) atom. In the sixth O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and two equivalent V(1) atoms. In the seventh O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one V(2) atom. is represented by the CIF file [CIF]
data_Ba3V4O13
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.193
_cell_length_b   9.193
_cell_length_c   10.262
_cell_angle_alpha   70.607
_cell_angle_beta   70.607
_cell_angle_gamma   58.066
_symmetry_Int_Tables_number   1
_cell_volume   680.782
_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  0.105  0.895  0.750  1.0
  Ba  Ba1  1  0.895  0.105  0.250  1.0
  Ba  Ba2  1  0.966  0.627  0.192  1.0
  Ba  Ba3  1  0.373  0.034  0.308  1.0
  Ba  Ba4  1  0.034  0.373  0.808  1.0
  Ba  Ba5  1  0.627  0.966  0.692  1.0
  V  V6  1  0.632  0.592  0.134  1.0
  V  V7  1  0.408  0.368  0.366  1.0
  V  V8  1  0.368  0.408  0.866  1.0
  V  V9  1  0.592  0.632  0.634  1.0
  V  V10  1  0.283  0.899  0.000  1.0
  V  V11  1  0.101  0.717  0.500  1.0
  V  V12  1  0.717  0.101  1.000  1.0
  V  V13  1  0.899  0.283  0.500  1.0
  O  O14  1  0.571  0.429  0.250  1.0
  O  O15  1  0.429  0.571  0.750  1.0
  O  O16  1  0.281  0.009  0.831  1.0
  O  O17  1  0.991  0.719  0.669  1.0
  O  O18  1  0.719  0.991  0.169  1.0
  O  O19  1  0.009  0.281  0.331  1.0
  O  O20  1  0.140  0.820  0.045  1.0
  O  O21  1  0.180  0.860  0.455  1.0
  O  O22  1  0.860  0.180  0.955  1.0
  O  O23  1  0.820  0.140  0.545  1.0
  O  O24  1  0.223  0.036  0.107  1.0
  O  O25  1  0.964  0.777  0.393  1.0
  O  O26  1  0.777  0.964  0.893  1.0
  O  O27  1  0.036  0.223  0.607  1.0
  O  O28  1  0.723  0.505  0.502  1.0
  O  O29  1  0.495  0.277  0.998  1.0
  O  O30  1  0.277  0.495  0.498  1.0
  O  O31  1  0.505  0.723  0.002  1.0
  O  O32  1  0.482  0.842  0.564  1.0
  O  O33  1  0.158  0.518  0.936  1.0
  O  O34  1  0.615  0.719  0.227  1.0
  O  O35  1  0.842  0.482  0.064  1.0
  O  O36  1  0.719  0.615  0.727  1.0
  O  O37  1  0.385  0.281  0.773  1.0
  O  O38  1  0.281  0.385  0.273  1.0
  O  O39  1  0.518  0.158  0.436  1.0
[/CIF]
.