The material described by KLu(MoO4)2 crystallizes in the trigonal P-3m1 space group. K(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Lu(1) is bonded to six equivalent O(1) atoms to form LuO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Lu(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_KLu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.997
_cell_length_c   7.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.542
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.333  0.667  0.261  1.0
  Mo  Mo3  1  0.667  0.333  0.739  1.0
  O  O4  1  0.168  0.832  0.334  1.0
  O  O5  1  0.832  0.168  0.666  1.0
  O  O6  1  0.168  0.336  0.334  1.0
  O  O7  1  0.832  0.664  0.666  1.0
  O  O8  1  0.664  0.832  0.334  1.0
  O  O9  1  0.336  0.168  0.666  1.0
  O  O10  1  0.333  0.667  0.040  1.0
  O  O11  1  0.667  0.333  0.960  1.0
[/CIF]
.
The material described by KLu(MoO4)2 crystallizes in the trigonal P-3m1 space group. K(1) is bonded in a distorted hexagonal planar geometry to six equivalent O(1) atoms. Lu(1) is bonded to six equivalent O(1) atoms to form LuO6 octahedra that share corners with six equivalent Mo(1)O4 tetrahedra. Mo(1) is bonded to one O(2) and three equivalent O(1) atoms to form MoO4 tetrahedra that share corners with three equivalent Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles are 19°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1), one Lu(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_KLu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.997
_cell_length_b   5.997
_cell_length_c   7.917
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   246.542
_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  0.000  0.000  0.000  1.0
  Lu  Lu1  1  0.000  0.000  0.500  1.0
  Mo  Mo2  1  0.333  0.667  0.261  1.0
  Mo  Mo3  1  0.667  0.333  0.739  1.0
  O  O4  1  0.168  0.832  0.334  1.0
  O  O5  1  0.832  0.168  0.666  1.0
  O  O6  1  0.168  0.336  0.334  1.0
  O  O7  1  0.832  0.664  0.666  1.0
  O  O8  1  0.664  0.832  0.334  1.0
  O  O9  1  0.336  0.168  0.666  1.0
  O  O10  1  0.333  0.667  0.040  1.0
  O  O11  1  0.667  0.333  0.960  1.0
[/CIF]
.