The compound described by BaV2P4O17 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(17), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(15), one O(2), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(13), one O(16), one O(4), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ba(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ba(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ba(1), one V(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ba(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Ba(1) atom. is represented by the CIF file [CIF]
data_BaV2P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.855
_cell_length_b   9.497
_cell_length_c   9.557
_cell_angle_alpha   61.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.440
_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  0.244  0.847  0.837  1.0
  Ba  Ba1  1  0.744  0.153  0.163  1.0
  V  V2  1  0.258  0.254  0.256  1.0
  V  V3  1  0.758  0.746  0.744  1.0
  V  V4  1  0.998  0.742  0.251  1.0
  V  V5  1  0.498  0.258  0.749  1.0
  P  P6  1  0.070  0.918  0.475  1.0
  P  P7  1  0.570  0.082  0.525  1.0
  P  P8  1  0.180  0.091  0.024  1.0
  P  P9  1  0.680  0.909  0.976  1.0
  P  P10  1  0.325  0.495  0.414  1.0
  P  P11  1  0.825  0.505  0.586  1.0
  P  P12  1  0.945  0.515  0.075  1.0
  P  P13  1  0.445  0.485  0.925  1.0
  O  O14  1  0.084  0.106  0.383  1.0
  O  O15  1  0.584  0.894  0.617  1.0
  O  O16  1  0.931  0.880  0.608  1.0
  O  O17  1  0.431  0.120  0.392  1.0
  O  O18  1  0.233  0.838  0.550  1.0
  O  O19  1  0.733  0.162  0.450  1.0
  O  O20  1  0.986  0.874  0.353  1.0
  O  O21  1  0.486  0.126  0.647  1.0
  O  O22  1  0.278  0.129  0.145  1.0
  O  O23  1  0.778  0.871  0.855  1.0
  O  O24  1  0.010  0.173  0.979  1.0
  O  O25  1  0.510  0.827  0.021  1.0
  O  O26  1  0.307  0.134  0.881  1.0
  O  O27  1  0.807  0.866  0.119  1.0
  O  O28  1  0.156  0.904  0.099  1.0
  O  O29  1  0.656  0.096  0.901  1.0
  O  O30  1  0.019  0.639  0.124  1.0
  O  O31  1  0.519  0.361  0.876  1.0
  O  O32  1  0.783  0.436  0.154  1.0
  O  O33  1  0.283  0.564  0.846  1.0
  O  O34  1  0.931  0.611  0.889  1.0
  O  O35  1  0.431  0.389  0.111  1.0
  O  O36  1  0.089  0.385  0.116  1.0
  O  O37  1  0.589  0.615  0.884  1.0
  O  O38  1  0.177  0.621  0.377  1.0
  O  O39  1  0.677  0.379  0.623  1.0
  O  O40  1  0.488  0.566  0.332  1.0
  O  O41  1  0.988  0.434  0.668  1.0
  O  O42  1  0.250  0.368  0.367  1.0
  O  O43  1  0.750  0.632  0.633  1.0
  O  O44  1  0.343  0.399  0.602  1.0
  O  O45  1  0.843  0.601  0.398  1.0
  O  O46  1  0.994  0.113  0.718  1.0
  O  O47  1  0.494  0.887  0.282  1.0
[/CIF]
.
The compound described by BaV2P4O17 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 12-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(17), one O(2), one O(3), one O(4), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(11), one O(12), one O(15), one O(2), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second V site, V(2) is bonded to one O(13), one O(16), one O(4), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-46°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-44°. In the third P site, P(3) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-43°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-46°. There are seventeen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ba(1), one V(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one V(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Ba(1), one V(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Ba(1), one V(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ba(1), one V(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a distorted single-bond geometry to one Ba(1) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one V(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ba(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one P(3) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one V(1) and one P(3) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one V(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one Ba(1) atom. is represented by the CIF file [CIF]
data_BaV2P4O17
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.855
_cell_length_b   9.497
_cell_length_c   9.557
_cell_angle_alpha   61.479
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   626.440
_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  0.244  0.847  0.837  1.0
  Ba  Ba1  1  0.744  0.153  0.163  1.0
  V  V2  1  0.258  0.254  0.256  1.0
  V  V3  1  0.758  0.746  0.744  1.0
  V  V4  1  0.998  0.742  0.251  1.0
  V  V5  1  0.498  0.258  0.749  1.0
  P  P6  1  0.070  0.918  0.475  1.0
  P  P7  1  0.570  0.082  0.525  1.0
  P  P8  1  0.180  0.091  0.024  1.0
  P  P9  1  0.680  0.909  0.976  1.0
  P  P10  1  0.325  0.495  0.414  1.0
  P  P11  1  0.825  0.505  0.586  1.0
  P  P12  1  0.945  0.515  0.075  1.0
  P  P13  1  0.445  0.485  0.925  1.0
  O  O14  1  0.084  0.106  0.383  1.0
  O  O15  1  0.584  0.894  0.617  1.0
  O  O16  1  0.931  0.880  0.608  1.0
  O  O17  1  0.431  0.120  0.392  1.0
  O  O18  1  0.233  0.838  0.550  1.0
  O  O19  1  0.733  0.162  0.450  1.0
  O  O20  1  0.986  0.874  0.353  1.0
  O  O21  1  0.486  0.126  0.647  1.0
  O  O22  1  0.278  0.129  0.145  1.0
  O  O23  1  0.778  0.871  0.855  1.0
  O  O24  1  0.010  0.173  0.979  1.0
  O  O25  1  0.510  0.827  0.021  1.0
  O  O26  1  0.307  0.134  0.881  1.0
  O  O27  1  0.807  0.866  0.119  1.0
  O  O28  1  0.156  0.904  0.099  1.0
  O  O29  1  0.656  0.096  0.901  1.0
  O  O30  1  0.019  0.639  0.124  1.0
  O  O31  1  0.519  0.361  0.876  1.0
  O  O32  1  0.783  0.436  0.154  1.0
  O  O33  1  0.283  0.564  0.846  1.0
  O  O34  1  0.931  0.611  0.889  1.0
  O  O35  1  0.431  0.389  0.111  1.0
  O  O36  1  0.089  0.385  0.116  1.0
  O  O37  1  0.589  0.615  0.884  1.0
  O  O38  1  0.177  0.621  0.377  1.0
  O  O39  1  0.677  0.379  0.623  1.0
  O  O40  1  0.488  0.566  0.332  1.0
  O  O41  1  0.988  0.434  0.668  1.0
  O  O42  1  0.250  0.368  0.367  1.0
  O  O43  1  0.750  0.632  0.633  1.0
  O  O44  1  0.343  0.399  0.602  1.0
  O  O45  1  0.843  0.601  0.398  1.0
  O  O46  1  0.994  0.113  0.718  1.0
  O  O47  1  0.494  0.887  0.282  1.0
[/CIF]
.