The crystal structure described by K3Y(VO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent O(2) atoms. In the second K site, K(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Y(1) is bonded to six equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Y(1), and one V(1) atom. is represented by the CIF card [CIF]
data_K3YV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.445
_cell_formula_units_Z   1
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  0.333  0.667  0.707  1.0
  K  K1  1  0.667  0.333  0.293  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.333  0.667  0.251  1.0
  V  V5  1  0.667  0.333  0.749  1.0
  O  O6  1  0.333  0.667  0.036  1.0
  O  O7  1  0.667  0.333  0.964  1.0
  O  O8  1  0.174  0.826  0.328  1.0
  O  O9  1  0.652  0.826  0.328  1.0
  O  O10  1  0.174  0.348  0.328  1.0
  O  O11  1  0.826  0.174  0.672  1.0
  O  O12  1  0.348  0.174  0.672  1.0
  O  O13  1  0.826  0.652  0.672  1.0
[/CIF]
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The crystal structure described by K3Y(VO4)2 crystallizes in the trigonal P-3m1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one O(1) and six equivalent O(2) atoms. In the second K site, K(2) is bonded in a distorted hexagonal planar geometry to six equivalent O(2) atoms. Y(1) is bonded to six equivalent O(2) atoms to form YO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 17°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one V(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), one Y(1), and one V(1) atom. is represented by the CIF card [CIF]
data_K3YV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.021
_cell_length_b   6.021
_cell_length_c   7.817
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   245.445
_cell_formula_units_Z   1
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  0.333  0.667  0.707  1.0
  K  K1  1  0.667  0.333  0.293  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  Y  Y3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.333  0.667  0.251  1.0
  V  V5  1  0.667  0.333  0.749  1.0
  O  O6  1  0.333  0.667  0.036  1.0
  O  O7  1  0.667  0.333  0.964  1.0
  O  O8  1  0.174  0.826  0.328  1.0
  O  O9  1  0.652  0.826  0.328  1.0
  O  O10  1  0.174  0.348  0.328  1.0
  O  O11  1  0.826  0.174  0.672  1.0
  O  O12  1  0.348  0.174  0.672  1.0
  O  O13  1  0.826  0.652  0.672  1.0
[/CIF]
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