The material structure described by K3ErV2O8 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. Er(1) is bonded to six equivalent O(2) atoms to form ErO6 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 Er(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 Er(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.012
_cell_length_c   7.866
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   246.202
_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  0.667  0.333  0.293  1.0
  K  K1  1  0.333  0.667  0.707  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  Er  Er3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.667  0.333  0.744  1.0
  V  V5  1  0.333  0.667  0.256  1.0
  O  O6  1  0.667  0.333  0.959  1.0
  O  O7  1  0.333  0.667  0.041  1.0
  O  O8  1  0.826  0.653  0.668  1.0
  O  O9  1  0.347  0.174  0.668  1.0
  O  O10  1  0.826  0.174  0.668  1.0
  O  O11  1  0.174  0.347  0.332  1.0
  O  O12  1  0.653  0.826  0.332  1.0
  O  O13  1  0.174  0.826  0.332  1.0
[/CIF]
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The material structure described by K3ErV2O8 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. Er(1) is bonded to six equivalent O(2) atoms to form ErO6 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 Er(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 Er(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3ErV2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.012
_cell_length_c   7.866
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   246.202
_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  0.667  0.333  0.293  1.0
  K  K1  1  0.333  0.667  0.707  1.0
  K  K2  1  0.000  0.000  0.000  1.0
  Er  Er3  1  0.000  0.000  0.500  1.0
  V  V4  1  0.667  0.333  0.744  1.0
  V  V5  1  0.333  0.667  0.256  1.0
  O  O6  1  0.667  0.333  0.959  1.0
  O  O7  1  0.333  0.667  0.041  1.0
  O  O8  1  0.826  0.653  0.668  1.0
  O  O9  1  0.347  0.174  0.668  1.0
  O  O10  1  0.826  0.174  0.668  1.0
  O  O11  1  0.174  0.347  0.332  1.0
  O  O12  1  0.653  0.826  0.332  1.0
  O  O13  1  0.174  0.826  0.332  1.0
[/CIF]
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