The structure described by Li2Ba3V2O7Cl4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form LiCl6 octahedra that share corners with two equivalent Ba(3)Cl8O4 cuboctahedra, faces with two equivalent Ba(3)Cl8O4 cuboctahedra, and faces with two equivalent Li(1)Cl6 octahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. In the third Ba site, Ba(3) is bonded to four equivalent O(1), two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(3) atoms to form distorted BaCl8O4 cuboctahedra that share corners with four equivalent Li(1)Cl6 octahedra, edges with two equivalent Ba(3)Cl8O4 cuboctahedra, edges with two equivalent V(1)O4 tetrahedra, and faces with four equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent Cl(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one Ba(3)Cl8O4 cuboctahedra. In the second V site, V(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(4), two equivalent Ba(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Li(2), one Ba(4), two equivalent Ba(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Ba(1), one Ba(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Ba(4), and one V(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(2), one Ba(3), and two equivalent Ba(1) atoms. In the second Cl site, Cl(1) is bonded to one Ba(1), one Ba(2), and two equivalent Ba(4) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra. In the third Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(1), one Ba(3), and two equivalent Ba(2) atoms. In the fourth Cl site, Cl(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Ba(1), one Ba(2), and two equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba3Li2V2Cl4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   8.684
_cell_length_c   14.609
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   39.591
_symmetry_Int_Tables_number   1
_cell_volume   702.093
_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  0.136  0.136  0.274  1.0
  Ba  Ba1  1  0.866  0.866  0.280  1.0
  Ba  Ba2  1  0.864  0.864  0.726  1.0
  Ba  Ba3  1  0.500  0.500  0.500  1.0
  Ba  Ba4  1  0.134  0.134  0.720  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.000  0.500  0.500  1.0
  Li  Li7  1  0.302  0.302  0.883  1.0
  Li  Li8  1  0.698  0.698  0.117  1.0
  Li  Li9  1  0.500  0.000  0.500  1.0
  V  V10  1  0.504  0.504  0.252  1.0
  V  V11  1  0.689  0.689  0.873  1.0
  V  V12  1  0.496  0.496  0.748  1.0
  V  V13  1  0.311  0.311  0.127  1.0
  Cl  Cl14  1  0.998  0.998  0.116  1.0
  Cl  Cl15  1  0.315  0.315  0.380  1.0
  Cl  Cl16  1  0.117  0.117  0.499  1.0
  Cl  Cl17  1  0.002  0.002  0.884  1.0
  Cl  Cl18  1  0.883  0.883  0.501  1.0
  Cl  Cl19  1  0.311  0.311  0.620  1.0
  Cl  Cl20  1  0.689  0.689  0.380  1.0
  Cl  Cl21  1  0.685  0.685  0.620  1.0
  O  O22  1  0.736  0.270  0.323  1.0
  O  O23  1  0.270  0.736  0.323  1.0
  O  O24  1  0.413  0.413  0.179  1.0
  O  O25  1  0.588  0.588  0.182  1.0
  O  O26  1  0.264  0.730  0.677  1.0
  O  O27  1  0.506  0.977  0.834  1.0
  O  O28  1  0.023  0.494  0.166  1.0
  O  O29  1  0.587  0.587  0.821  1.0
  O  O30  1  0.412  0.412  0.818  1.0
  O  O31  1  0.494  0.023  0.166  1.0
  O  O32  1  0.669  0.669  0.988  1.0
  O  O33  1  0.730  0.264  0.677  1.0
  O  O34  1  0.331  0.331  0.012  1.0
  O  O35  1  0.977  0.506  0.834  1.0
[/CIF]
.
The structure described by Li2Ba3V2O7Cl4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(4) atoms to form LiCl6 octahedra that share corners with two equivalent Ba(3)Cl8O4 cuboctahedra, faces with two equivalent Ba(3)Cl8O4 cuboctahedra, and faces with two equivalent Li(1)Cl6 octahedra. In the second Li site, Li(2) is bonded to one O(3), one O(5), and two equivalent O(4) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent V(2)O4 tetrahedra. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), one Cl(1), one Cl(2), one Cl(3), and two equivalent Cl(4) atoms. In the second Ba site, Ba(2) is bonded in a 11-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(4), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms. In the third Ba site, Ba(3) is bonded to four equivalent O(1), two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(3) atoms to form distorted BaCl8O4 cuboctahedra that share corners with four equivalent Li(1)Cl6 octahedra, edges with two equivalent Ba(3)Cl8O4 cuboctahedra, edges with two equivalent V(1)O4 tetrahedra, and faces with four equivalent Li(1)Cl6 octahedra. The corner-sharing octahedral tilt angles are 23°. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(5), and four equivalent Cl(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form VO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one V(2)O4 tetrahedra, and  an edgeedge with one Ba(3)Cl8O4 cuboctahedra. In the second V site, V(2) is bonded to one O(2), one O(5), and two equivalent O(4) atoms to form VO4 tetrahedra that share  a cornercorner with one V(1)O4 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), one Ba(3), and one V(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Ba(4), two equivalent Ba(2), one V(1), and one V(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Li(2), one Ba(4), two equivalent Ba(1), and one V(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(2), one Ba(1), one Ba(2), and one V(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Ba(4), and one V(2) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(2), one Ba(3), and two equivalent Ba(1) atoms. In the second Cl site, Cl(1) is bonded to one Ba(1), one Ba(2), and two equivalent Ba(4) atoms to form a mixture of edge and corner-sharing ClBa4 tetrahedra. In the third Cl site, Cl(2) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(1), one Ba(3), and two equivalent Ba(2) atoms. In the fourth Cl site, Cl(3) is bonded in a 6-coordinate geometry to two equivalent Li(1), one Ba(1), one Ba(2), and two equivalent Ba(3) atoms. is represented by the CIF file [CIF]
data_Ba3Li2V2Cl4O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.684
_cell_length_b   8.684
_cell_length_c   14.609
_cell_angle_alpha   89.510
_cell_angle_beta   89.510
_cell_angle_gamma   39.591
_symmetry_Int_Tables_number   1
_cell_volume   702.093
_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  0.136  0.136  0.274  1.0
  Ba  Ba1  1  0.866  0.866  0.280  1.0
  Ba  Ba2  1  0.864  0.864  0.726  1.0
  Ba  Ba3  1  0.500  0.500  0.500  1.0
  Ba  Ba4  1  0.134  0.134  0.720  1.0
  Ba  Ba5  1  0.500  0.500  0.000  1.0
  Li  Li6  1  0.000  0.500  0.500  1.0
  Li  Li7  1  0.302  0.302  0.883  1.0
  Li  Li8  1  0.698  0.698  0.117  1.0
  Li  Li9  1  0.500  0.000  0.500  1.0
  V  V10  1  0.504  0.504  0.252  1.0
  V  V11  1  0.689  0.689  0.873  1.0
  V  V12  1  0.496  0.496  0.748  1.0
  V  V13  1  0.311  0.311  0.127  1.0
  Cl  Cl14  1  0.998  0.998  0.116  1.0
  Cl  Cl15  1  0.315  0.315  0.380  1.0
  Cl  Cl16  1  0.117  0.117  0.499  1.0
  Cl  Cl17  1  0.002  0.002  0.884  1.0
  Cl  Cl18  1  0.883  0.883  0.501  1.0
  Cl  Cl19  1  0.311  0.311  0.620  1.0
  Cl  Cl20  1  0.689  0.689  0.380  1.0
  Cl  Cl21  1  0.685  0.685  0.620  1.0
  O  O22  1  0.736  0.270  0.323  1.0
  O  O23  1  0.270  0.736  0.323  1.0
  O  O24  1  0.413  0.413  0.179  1.0
  O  O25  1  0.588  0.588  0.182  1.0
  O  O26  1  0.264  0.730  0.677  1.0
  O  O27  1  0.506  0.977  0.834  1.0
  O  O28  1  0.023  0.494  0.166  1.0
  O  O29  1  0.587  0.587  0.821  1.0
  O  O30  1  0.412  0.412  0.818  1.0
  O  O31  1  0.494  0.023  0.166  1.0
  O  O32  1  0.669  0.669  0.988  1.0
  O  O33  1  0.730  0.264  0.677  1.0
  O  O34  1  0.331  0.331  0.012  1.0
  O  O35  1  0.977  0.506  0.834  1.0
[/CIF]
.