The crystal structure described by K2VCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(23), one O(24), one O(6), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(23), one O(24), and one O(5) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(21), one O(22), one O(6), and one O(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(21), one O(22), and one O(5) atom. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(25), one O(26), one O(3), and one O(8) atom. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(25), one O(26), one O(4), and one O(7) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(27), one O(28), one O(3), and one O(8) atom. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(27), one O(28), one O(4), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second P site, P(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the fourth P site, P(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one C(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one C(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(5), one K(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(6), one K(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one K(4), one V(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(3), one V(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one K(6), one K(8), one V(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(5), one K(7), one V(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one K(1), one K(3), one V(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one K(2), one K(4), one V(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one K(5), one K(7), one V(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one K(6), one K(8), one V(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one K(1), one K(3), one V(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(2), one K(4), one V(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(5), one K(7), one V(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(6), one K(8), one V(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one V(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(2), one K(4), one V(4), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one K(5), one K(7), one V(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one K(6), one K(8), one V(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one K(3), one K(4), one V(3), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one K(3), one K(4), one V(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one K(1), one K(2), one V(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one K(1), one K(2), one V(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one K(5), one K(6), one V(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one K(5), one K(6), one V(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one K(7), one K(8), one V(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 2-coordinate geometry to one K(7), one K(8), one V(4), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   6.764
_cell_length_c   9.785
_cell_angle_alpha   90.055
_cell_angle_beta   89.553
_cell_angle_gamma   89.574
_symmetry_Int_Tables_number   1
_cell_volume   372.595
_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
  C  C0  1  0.268  0.251  0.894  1.0
  C  C1  1  0.731  0.749  0.106  1.0
  K  K2  1  0.749  0.522  0.763  1.0
  K  K3  1  0.757  0.976  0.765  1.0
  K  K4  1  0.250  0.478  0.237  1.0
  K  K5  1  0.243  0.023  0.235  1.0
  O  O6  1  0.707  0.750  0.979  1.0
  O  O7  1  0.293  0.250  0.021  1.0
  O  O8  1  0.062  0.257  0.831  1.0
  O  O9  1  0.938  0.746  0.169  1.0
  O  O10  1  0.448  0.245  0.806  1.0
  O  O11  1  0.552  0.752  0.194  1.0
  O  O12  1  0.889  0.248  0.561  1.0
  O  O13  1  0.113  0.752  0.439  1.0
  O  O14  1  0.544  0.746  0.522  1.0
  O  O15  1  0.457  0.256  0.480  1.0
  O  O16  1  0.230  0.939  0.654  1.0
  O  O17  1  0.226  0.563  0.654  1.0
  O  O18  1  0.774  0.437  0.347  1.0
  O  O19  1  0.768  0.060  0.346  1.0
  P  P20  1  0.277  0.750  0.567  1.0
  P  P21  1  0.724  0.249  0.434  1.0
  V  V22  1  0.224  0.251  0.640  1.0
  V  V23  1  0.776  0.749  0.360  1.0
[/CIF]
.
The crystal structure described by K2VCPO7 crystallizes in the triclinic P1 space group. There are eight inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(23), one O(24), one O(6), and one O(9) atom. In the second K site, K(2) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(23), one O(24), and one O(5) atom. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(17), one O(21), one O(22), one O(6), and one O(9) atom. In the fourth K site, K(4) is bonded in a 7-coordinate geometry to one O(10), one O(14), one O(18), one O(2), one O(21), one O(22), and one O(5) atom. In the fifth K site, K(5) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(25), one O(26), one O(3), and one O(8) atom. In the sixth K site, K(6) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(25), one O(26), one O(4), and one O(7) atom. In the seventh K site, K(7) is bonded in a 7-coordinate geometry to one O(11), one O(15), one O(19), one O(27), one O(28), one O(3), and one O(8) atom. In the eighth K site, K(8) is bonded in a 7-coordinate geometry to one O(12), one O(16), one O(20), one O(27), one O(28), one O(4), and one O(7) atom. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(13), one O(20), one O(22), one O(24), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the second V site, V(2) is bonded to one O(11), one O(16), one O(17), one O(25), one O(27), and one O(7) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third V site, V(3) is bonded to one O(14), one O(19), one O(21), one O(23), one O(5), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fourth V site, V(4) is bonded to one O(12), one O(15), one O(18), one O(26), one O(28), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(6) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(11), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(15), one O(17), one O(21), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-39°. In the second P site, P(2) is bonded to one O(16), one O(18), one O(22), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third P site, P(3) is bonded to one O(13), one O(19), one O(25), and one O(27) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-38°. In the fourth P site, P(4) is bonded to one O(14), one O(20), one O(26), and one O(28) atom to form PO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, and corners with two equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-39°. There are twenty-eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one K(3), and one C(3) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(2), one K(4), and one C(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(5), one K(7), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(6), one K(8), and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one K(2), one K(4), one V(3), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(3), one V(1), and one C(2) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one K(6), one K(8), one V(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one K(5), one K(7), one V(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted tetrahedral geometry to one K(1), one K(3), one V(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one K(2), one K(4), one V(1), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted tetrahedral geometry to one K(5), one K(7), one V(2), and one C(3) atom. In the twelfth O site, O(12) is bonded in a distorted tetrahedral geometry to one K(6), one K(8), one V(4), and one C(4) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one K(1), one K(3), one V(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(2), one K(4), one V(3), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one K(5), one K(7), one V(4), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(6), one K(8), one V(2), and one P(2) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one K(1), one K(3), one V(2), and one P(1) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one K(2), one K(4), one V(4), and one P(2) atom. In the nineteenth O site, O(19) is bonded in a distorted bent 150 degrees geometry to one K(5), one K(7), one V(3), and one P(3) atom. In the twentieth O site, O(20) is bonded in a distorted bent 150 degrees geometry to one K(6), one K(8), one V(1), and one P(4) atom. In the twenty-first O site, O(21) is bonded in a 2-coordinate geometry to one K(3), one K(4), one V(3), and one P(1) atom. In the twenty-second O site, O(22) is bonded in a 2-coordinate geometry to one K(3), one K(4), one V(1), and one P(2) atom. In the twenty-third O site, O(23) is bonded in a 2-coordinate geometry to one K(1), one K(2), one V(3), and one P(1) atom. In the twenty-fourth O site, O(24) is bonded in a 2-coordinate geometry to one K(1), one K(2), one V(1), and one P(2) atom. In the twenty-fifth O site, O(25) is bonded in a 2-coordinate geometry to one K(5), one K(6), one V(2), and one P(3) atom. In the twenty-sixth O site, O(26) is bonded in a 2-coordinate geometry to one K(5), one K(6), one V(4), and one P(4) atom. In the twenty-seventh O site, O(27) is bonded in a 2-coordinate geometry to one K(7), one K(8), one V(2), and one P(3) atom. In the twenty-eighth O site, O(28) is bonded in a 2-coordinate geometry to one K(7), one K(8), one V(4), and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2VPCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.630
_cell_length_b   6.764
_cell_length_c   9.785
_cell_angle_alpha   90.055
_cell_angle_beta   89.553
_cell_angle_gamma   89.574
_symmetry_Int_Tables_number   1
_cell_volume   372.595
_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
  C  C0  1  0.268  0.251  0.894  1.0
  C  C1  1  0.731  0.749  0.106  1.0
  K  K2  1  0.749  0.522  0.763  1.0
  K  K3  1  0.757  0.976  0.765  1.0
  K  K4  1  0.250  0.478  0.237  1.0
  K  K5  1  0.243  0.023  0.235  1.0
  O  O6  1  0.707  0.750  0.979  1.0
  O  O7  1  0.293  0.250  0.021  1.0
  O  O8  1  0.062  0.257  0.831  1.0
  O  O9  1  0.938  0.746  0.169  1.0
  O  O10  1  0.448  0.245  0.806  1.0
  O  O11  1  0.552  0.752  0.194  1.0
  O  O12  1  0.889  0.248  0.561  1.0
  O  O13  1  0.113  0.752  0.439  1.0
  O  O14  1  0.544  0.746  0.522  1.0
  O  O15  1  0.457  0.256  0.480  1.0
  O  O16  1  0.230  0.939  0.654  1.0
  O  O17  1  0.226  0.563  0.654  1.0
  O  O18  1  0.774  0.437  0.347  1.0
  O  O19  1  0.768  0.060  0.346  1.0
  P  P20  1  0.277  0.750  0.567  1.0
  P  P21  1  0.724  0.249  0.434  1.0
  V  V22  1  0.224  0.251  0.640  1.0
  V  V23  1  0.776  0.749  0.360  1.0
[/CIF]
.