The crystal structure described by BaVCu4P4O17 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. V(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(5) atoms. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaVCu4P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.735
_cell_length_b   9.735
_cell_length_c   7.347
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   696.201
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.000  0.500  0.956  1.0
  V  V3  1  0.500  0.000  0.044  1.0
  Cu  Cu4  1  0.238  0.486  0.404  1.0
  Cu  Cu5  1  0.486  0.238  0.596  1.0
  Cu  Cu6  1  0.014  0.738  0.404  1.0
  Cu  Cu7  1  0.762  0.514  0.404  1.0
  Cu  Cu8  1  0.738  0.014  0.596  1.0
  Cu  Cu9  1  0.986  0.262  0.404  1.0
  Cu  Cu10  1  0.514  0.762  0.596  1.0
  Cu  Cu11  1  0.262  0.986  0.596  1.0
  P  P12  1  0.218  0.691  0.734  1.0
  P  P13  1  0.809  0.718  0.734  1.0
  P  P14  1  0.718  0.809  0.266  1.0
  P  P15  1  0.191  0.282  0.734  1.0
  P  P16  1  0.782  0.309  0.734  1.0
  P  P17  1  0.282  0.191  0.266  1.0
  P  P18  1  0.691  0.218  0.266  1.0
  P  P19  1  0.309  0.782  0.266  1.0
  O  O20  1  0.000  0.500  0.179  1.0
  O  O21  1  0.874  0.839  0.263  1.0
  O  O22  1  0.895  0.659  0.896  1.0
  O  O23  1  0.321  0.343  0.242  1.0
  O  O24  1  0.843  0.179  0.242  1.0
  O  O25  1  0.841  0.395  0.896  1.0
  O  O26  1  0.679  0.657  0.242  1.0
  O  O27  1  0.500  0.000  0.821  1.0
  O  O28  1  0.657  0.679  0.758  1.0
  O  O29  1  0.821  0.157  0.758  1.0
  O  O30  1  0.659  0.895  0.104  1.0
  O  O31  1  0.105  0.341  0.896  1.0
  O  O32  1  0.343  0.321  0.758  1.0
  O  O33  1  0.179  0.843  0.758  1.0
  O  O34  1  0.626  0.339  0.737  1.0
  O  O35  1  0.341  0.105  0.104  1.0
  O  O36  1  0.126  0.161  0.263  1.0
  O  O37  1  0.839  0.874  0.737  1.0
  O  O38  1  0.864  0.653  0.551  1.0
  O  O39  1  0.347  0.136  0.449  1.0
  O  O40  1  0.339  0.626  0.263  1.0
  O  O41  1  0.847  0.364  0.551  1.0
  O  O42  1  0.653  0.864  0.449  1.0
  O  O43  1  0.159  0.605  0.896  1.0
  O  O44  1  0.161  0.126  0.737  1.0
  O  O45  1  0.374  0.661  0.737  1.0
  O  O46  1  0.157  0.821  0.242  1.0
  O  O47  1  0.364  0.847  0.449  1.0
  O  O48  1  0.395  0.841  0.104  1.0
  O  O49  1  0.661  0.374  0.263  1.0
  O  O50  1  0.636  0.153  0.449  1.0
  O  O51  1  0.136  0.347  0.551  1.0
  O  O52  1  0.605  0.159  0.104  1.0
  O  O53  1  0.153  0.636  0.551  1.0
[/CIF]
.
The crystal structure described by BaVCu4P4O17 crystallizes in the tetragonal P42_12 space group. Ba(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(4) atoms. V(1) is bonded to one O(1) and four equivalent O(3) atoms to form distorted VO5 trigonal bipyramids that share corners with four equivalent P(1)O4 tetrahedra. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(5) atoms. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O5 trigonal bipyramid. There are five inequivalent O sites. In the first O site, O(5) is bonded in a trigonal planar geometry to two equivalent Cu(1) and one P(1) atom. In the second O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(2) is bonded in a distorted trigonal planar geometry to one Ba(1), one Cu(1), and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaVCu4P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.735
_cell_length_b   9.735
_cell_length_c   7.347
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   696.201
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.500  0.000  1.0
  V  V2  1  0.000  0.500  0.956  1.0
  V  V3  1  0.500  0.000  0.044  1.0
  Cu  Cu4  1  0.238  0.486  0.404  1.0
  Cu  Cu5  1  0.486  0.238  0.596  1.0
  Cu  Cu6  1  0.014  0.738  0.404  1.0
  Cu  Cu7  1  0.762  0.514  0.404  1.0
  Cu  Cu8  1  0.738  0.014  0.596  1.0
  Cu  Cu9  1  0.986  0.262  0.404  1.0
  Cu  Cu10  1  0.514  0.762  0.596  1.0
  Cu  Cu11  1  0.262  0.986  0.596  1.0
  P  P12  1  0.218  0.691  0.734  1.0
  P  P13  1  0.809  0.718  0.734  1.0
  P  P14  1  0.718  0.809  0.266  1.0
  P  P15  1  0.191  0.282  0.734  1.0
  P  P16  1  0.782  0.309  0.734  1.0
  P  P17  1  0.282  0.191  0.266  1.0
  P  P18  1  0.691  0.218  0.266  1.0
  P  P19  1  0.309  0.782  0.266  1.0
  O  O20  1  0.000  0.500  0.179  1.0
  O  O21  1  0.874  0.839  0.263  1.0
  O  O22  1  0.895  0.659  0.896  1.0
  O  O23  1  0.321  0.343  0.242  1.0
  O  O24  1  0.843  0.179  0.242  1.0
  O  O25  1  0.841  0.395  0.896  1.0
  O  O26  1  0.679  0.657  0.242  1.0
  O  O27  1  0.500  0.000  0.821  1.0
  O  O28  1  0.657  0.679  0.758  1.0
  O  O29  1  0.821  0.157  0.758  1.0
  O  O30  1  0.659  0.895  0.104  1.0
  O  O31  1  0.105  0.341  0.896  1.0
  O  O32  1  0.343  0.321  0.758  1.0
  O  O33  1  0.179  0.843  0.758  1.0
  O  O34  1  0.626  0.339  0.737  1.0
  O  O35  1  0.341  0.105  0.104  1.0
  O  O36  1  0.126  0.161  0.263  1.0
  O  O37  1  0.839  0.874  0.737  1.0
  O  O38  1  0.864  0.653  0.551  1.0
  O  O39  1  0.347  0.136  0.449  1.0
  O  O40  1  0.339  0.626  0.263  1.0
  O  O41  1  0.847  0.364  0.551  1.0
  O  O42  1  0.653  0.864  0.449  1.0
  O  O43  1  0.159  0.605  0.896  1.0
  O  O44  1  0.161  0.126  0.737  1.0
  O  O45  1  0.374  0.661  0.737  1.0
  O  O46  1  0.157  0.821  0.242  1.0
  O  O47  1  0.364  0.847  0.449  1.0
  O  O48  1  0.395  0.841  0.104  1.0
  O  O49  1  0.661  0.374  0.263  1.0
  O  O50  1  0.636  0.153  0.449  1.0
  O  O51  1  0.136  0.347  0.551  1.0
  O  O52  1  0.605  0.159  0.104  1.0
  O  O53  1  0.153  0.636  0.551  1.0
[/CIF]
.