The crystal structure described by CsV2P5O16 crystallizes in the monoclinic Pc space group. Cs(1) is bonded in a 12-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(15), one O(16), one O(2), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are five 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the fifth P site, P(5) 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(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cs(1), one V(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one P(5) atom. is represented by the CIF card [CIF]
data_CsV2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.436
_cell_length_b   7.553
_cell_length_c   10.268
_cell_angle_alpha   67.976
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.327
_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
  Cs  Cs0  1  0.804  0.000  0.754  1.0
  Cs  Cs1  1  0.196  0.000  0.254  1.0
  V  V2  1  0.369  0.924  0.862  1.0
  V  V3  1  0.631  0.924  0.362  1.0
  V  V4  1  0.143  0.377  0.468  1.0
  V  V5  1  0.857  0.377  0.968  1.0
  P  P6  1  0.873  0.278  0.303  1.0
  P  P7  1  0.127  0.278  0.803  1.0
  P  P8  1  0.861  0.614  0.372  1.0
  P  P9  1  0.139  0.614  0.872  1.0
  P  P10  1  0.706  0.570  0.628  1.0
  P  P11  1  0.294  0.570  0.128  1.0
  P  P12  1  0.460  0.515  0.492  1.0
  P  P13  1  0.540  0.515  0.992  1.0
  P  P14  1  0.419  0.125  0.525  1.0
  P  P15  1  0.581  0.125  0.025  1.0
  O  O16  1  0.988  0.228  0.413  1.0
  O  O17  1  0.012  0.228  0.913  1.0
  O  O18  1  0.746  0.152  0.348  1.0
  O  O19  1  0.254  0.152  0.848  1.0
  O  O20  1  0.932  0.299  0.159  1.0
  O  O21  1  0.068  0.299  0.659  1.0
  O  O22  1  0.819  0.492  0.284  1.0
  O  O23  1  0.181  0.492  0.784  1.0
  O  O24  1  0.800  0.809  0.304  1.0
  O  O25  1  0.200  0.809  0.804  1.0
  O  O26  1  0.018  0.611  0.396  1.0
  O  O27  1  0.982  0.611  0.896  1.0
  O  O28  1  0.787  0.498  0.521  1.0
  O  O29  1  0.213  0.498  0.021  1.0
  O  O30  1  0.770  0.479  0.769  1.0
  O  O31  1  0.230  0.479  0.269  1.0
  O  O32  1  0.700  0.783  0.566  1.0
  O  O33  1  0.300  0.783  0.066  1.0
  O  O34  1  0.552  0.482  0.632  1.0
  O  O35  1  0.448  0.482  0.132  1.0
  O  O36  1  0.306  0.516  0.525  1.0
  O  O37  1  0.694  0.516  0.025  1.0
  O  O38  1  0.520  0.685  0.378  1.0
  O  O39  1  0.480  0.685  0.878  1.0
  O  O40  1  0.495  0.333  0.458  1.0
  O  O41  1  0.505  0.333  0.958  1.0
  O  O42  1  0.260  0.155  0.505  1.0
  O  O43  1  0.740  0.155  0.005  1.0
  O  O44  1  0.461  0.046  0.677  1.0
  O  O45  1  0.539  0.046  0.177  1.0
  O  O46  1  0.470  0.016  0.439  1.0
  O  O47  1  0.530  0.016  0.939  1.0
[/CIF]
.
The crystal structure described by CsV2P5O16 crystallizes in the monoclinic Pc space group. Cs(1) is bonded in a 12-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), one O(3), one O(6), one O(7), one O(8), one O(9), and two equivalent O(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(12), one O(15), one O(16), one O(2), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(5)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(11), one O(14), one O(3), one O(6), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. There are five 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(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-45°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the third P site, P(3) is bonded to one O(10), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth P site, P(4) is bonded to one O(10), one O(11), one O(12), and one O(13) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and  a cornercorner with one P(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-52°. In the fifth P site, P(5) 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(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Cs(1), one V(2), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Cs(1), one V(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one P(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a linear geometry to one Cs(1), one V(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(3) and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one P(4) and one P(5) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one V(2), and one P(5) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one V(1), and one P(5) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Cs(1), one V(1), and one P(5) atom. is represented by the CIF card [CIF]
data_CsV2P5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.436
_cell_length_b   7.553
_cell_length_c   10.268
_cell_angle_alpha   67.976
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   678.327
_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
  Cs  Cs0  1  0.804  0.000  0.754  1.0
  Cs  Cs1  1  0.196  0.000  0.254  1.0
  V  V2  1  0.369  0.924  0.862  1.0
  V  V3  1  0.631  0.924  0.362  1.0
  V  V4  1  0.143  0.377  0.468  1.0
  V  V5  1  0.857  0.377  0.968  1.0
  P  P6  1  0.873  0.278  0.303  1.0
  P  P7  1  0.127  0.278  0.803  1.0
  P  P8  1  0.861  0.614  0.372  1.0
  P  P9  1  0.139  0.614  0.872  1.0
  P  P10  1  0.706  0.570  0.628  1.0
  P  P11  1  0.294  0.570  0.128  1.0
  P  P12  1  0.460  0.515  0.492  1.0
  P  P13  1  0.540  0.515  0.992  1.0
  P  P14  1  0.419  0.125  0.525  1.0
  P  P15  1  0.581  0.125  0.025  1.0
  O  O16  1  0.988  0.228  0.413  1.0
  O  O17  1  0.012  0.228  0.913  1.0
  O  O18  1  0.746  0.152  0.348  1.0
  O  O19  1  0.254  0.152  0.848  1.0
  O  O20  1  0.932  0.299  0.159  1.0
  O  O21  1  0.068  0.299  0.659  1.0
  O  O22  1  0.819  0.492  0.284  1.0
  O  O23  1  0.181  0.492  0.784  1.0
  O  O24  1  0.800  0.809  0.304  1.0
  O  O25  1  0.200  0.809  0.804  1.0
  O  O26  1  0.018  0.611  0.396  1.0
  O  O27  1  0.982  0.611  0.896  1.0
  O  O28  1  0.787  0.498  0.521  1.0
  O  O29  1  0.213  0.498  0.021  1.0
  O  O30  1  0.770  0.479  0.769  1.0
  O  O31  1  0.230  0.479  0.269  1.0
  O  O32  1  0.700  0.783  0.566  1.0
  O  O33  1  0.300  0.783  0.066  1.0
  O  O34  1  0.552  0.482  0.632  1.0
  O  O35  1  0.448  0.482  0.132  1.0
  O  O36  1  0.306  0.516  0.525  1.0
  O  O37  1  0.694  0.516  0.025  1.0
  O  O38  1  0.520  0.685  0.378  1.0
  O  O39  1  0.480  0.685  0.878  1.0
  O  O40  1  0.495  0.333  0.458  1.0
  O  O41  1  0.505  0.333  0.958  1.0
  O  O42  1  0.260  0.155  0.505  1.0
  O  O43  1  0.740  0.155  0.005  1.0
  O  O44  1  0.461  0.046  0.677  1.0
  O  O45  1  0.539  0.046  0.177  1.0
  O  O46  1  0.470  0.016  0.439  1.0
  O  O47  1  0.530  0.016  0.939  1.0
[/CIF]
.