The material structure described by KV3P4O16 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(2), one O(3), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(16), one O(6), and one O(8) atom. In the second V site, V(2) is bonded to one O(10), one O(11), one O(15), one O(16), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(3), and one O(4) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share 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 19-51°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one V(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(1), one V(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(1), one V(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_KV3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.879
_cell_length_b   5.285
_cell_length_c   9.608
_cell_angle_alpha   86.176
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   652.484
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  1.000  0.500  0.500  1.0
  V  V2  1  0.389  0.611  0.090  1.0
  V  V3  1  0.889  0.389  0.910  1.0
  V  V4  1  0.598  0.394  0.913  1.0
  V  V5  1  0.098  0.606  0.087  1.0
  V  V6  1  0.250  0.012  0.595  1.0
  V  V7  1  0.750  0.988  0.405  1.0
  P  P8  1  0.637  0.851  0.122  1.0
  P  P9  1  0.137  0.149  0.878  1.0
  P  P10  1  0.365  0.149  0.878  1.0
  P  P11  1  0.865  0.851  0.122  1.0
  P  P12  1  0.366  0.079  0.289  1.0
  P  P13  1  0.866  0.921  0.711  1.0
  P  P14  1  0.636  0.922  0.710  1.0
  P  P15  1  0.136  0.078  0.290  1.0
  O  O16  1  0.751  0.787  0.067  1.0
  O  O17  1  0.251  0.213  0.933  1.0
  O  O18  1  0.641  0.852  0.281  1.0
  O  O19  1  0.141  0.148  0.719  1.0
  O  O20  1  0.359  0.150  0.719  1.0
  O  O21  1  0.859  0.850  0.281  1.0
  O  O22  1  0.250  0.705  0.620  1.0
  O  O23  1  0.750  0.295  0.380  1.0
  O  O24  1  0.251  0.091  0.226  1.0
  O  O25  1  0.751  0.909  0.774  1.0
  O  O26  1  0.412  0.826  0.250  1.0
  O  O27  1  0.912  0.174  0.750  1.0
  O  O28  1  0.590  0.173  0.751  1.0
  O  O29  1  0.090  0.827  0.249  1.0
  O  O30  1  0.398  0.898  0.947  1.0
  O  O31  1  0.898  0.102  0.053  1.0
  O  O32  1  0.605  0.103  0.051  1.0
  O  O33  1  0.105  0.897  0.949  1.0
  O  O34  1  0.570  0.630  0.072  1.0
  O  O35  1  0.070  0.370  0.928  1.0
  O  O36  1  0.430  0.375  0.927  1.0
  O  O37  1  0.930  0.625  0.073  1.0
  O  O38  1  0.360  0.088  0.449  1.0
  O  O39  1  0.860  0.912  0.551  1.0
  O  O40  1  0.640  0.911  0.551  1.0
  O  O41  1  0.140  0.089  0.449  1.0
  O  O42  1  0.423  0.313  0.226  1.0
  O  O43  1  0.923  0.687  0.774  1.0
  O  O44  1  0.580  0.688  0.774  1.0
  O  O45  1  0.080  0.312  0.226  1.0
  O  O46  1  0.259  0.594  0.095  1.0
  O  O47  1  0.759  0.406  0.905  1.0
[/CIF]
.
The material structure described by KV3P4O16 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 8-coordinate geometry to one O(12), one O(13), one O(14), one O(15), one O(2), one O(3), one O(6), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(14), one O(16), one O(6), and one O(8) atom. In the second V site, V(2) is bonded to one O(10), one O(11), one O(15), one O(16), one O(7), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third V site, V(3) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(2), one O(3), and one O(4) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(2), and one O(9) atom to form PO4 tetrahedra that share 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 19-51°. In the second P site, P(2) is bonded to one O(1), one O(11), one O(3), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the third P site, P(3) is bonded to one O(12), one O(14), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the fourth P site, P(4) is bonded to one O(13), one O(15), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent V(2)O6 octahedra and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-42°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(3), and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(1), one V(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one V(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one K(1), one V(3), and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(1), one V(3), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a 2-coordinate geometry to one K(1), one V(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(1), one V(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a linear geometry to one V(1) and one V(2) atom. is represented by the CIF file [CIF]
data_KV3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.879
_cell_length_b   5.285
_cell_length_c   9.608
_cell_angle_alpha   86.176
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   652.484
_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
  K  K0  1  0.500  0.500  0.500  1.0
  K  K1  1  1.000  0.500  0.500  1.0
  V  V2  1  0.389  0.611  0.090  1.0
  V  V3  1  0.889  0.389  0.910  1.0
  V  V4  1  0.598  0.394  0.913  1.0
  V  V5  1  0.098  0.606  0.087  1.0
  V  V6  1  0.250  0.012  0.595  1.0
  V  V7  1  0.750  0.988  0.405  1.0
  P  P8  1  0.637  0.851  0.122  1.0
  P  P9  1  0.137  0.149  0.878  1.0
  P  P10  1  0.365  0.149  0.878  1.0
  P  P11  1  0.865  0.851  0.122  1.0
  P  P12  1  0.366  0.079  0.289  1.0
  P  P13  1  0.866  0.921  0.711  1.0
  P  P14  1  0.636  0.922  0.710  1.0
  P  P15  1  0.136  0.078  0.290  1.0
  O  O16  1  0.751  0.787  0.067  1.0
  O  O17  1  0.251  0.213  0.933  1.0
  O  O18  1  0.641  0.852  0.281  1.0
  O  O19  1  0.141  0.148  0.719  1.0
  O  O20  1  0.359  0.150  0.719  1.0
  O  O21  1  0.859  0.850  0.281  1.0
  O  O22  1  0.250  0.705  0.620  1.0
  O  O23  1  0.750  0.295  0.380  1.0
  O  O24  1  0.251  0.091  0.226  1.0
  O  O25  1  0.751  0.909  0.774  1.0
  O  O26  1  0.412  0.826  0.250  1.0
  O  O27  1  0.912  0.174  0.750  1.0
  O  O28  1  0.590  0.173  0.751  1.0
  O  O29  1  0.090  0.827  0.249  1.0
  O  O30  1  0.398  0.898  0.947  1.0
  O  O31  1  0.898  0.102  0.053  1.0
  O  O32  1  0.605  0.103  0.051  1.0
  O  O33  1  0.105  0.897  0.949  1.0
  O  O34  1  0.570  0.630  0.072  1.0
  O  O35  1  0.070  0.370  0.928  1.0
  O  O36  1  0.430  0.375  0.927  1.0
  O  O37  1  0.930  0.625  0.073  1.0
  O  O38  1  0.360  0.088  0.449  1.0
  O  O39  1  0.860  0.912  0.551  1.0
  O  O40  1  0.640  0.911  0.551  1.0
  O  O41  1  0.140  0.089  0.449  1.0
  O  O42  1  0.423  0.313  0.226  1.0
  O  O43  1  0.923  0.687  0.774  1.0
  O  O44  1  0.580  0.688  0.774  1.0
  O  O45  1  0.080  0.312  0.226  1.0
  O  O46  1  0.259  0.594  0.095  1.0
  O  O47  1  0.759  0.406  0.905  1.0
[/CIF]
.