The material described by K5Yb(MoO4)4 crystallizes in the monoclinic P2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. Yb(1) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra and corners with four equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Mo site, Mo(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form MoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one K(2) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Yb(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   9.993
_cell_length_c   7.821
_cell_angle_alpha   73.429
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.817
_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  0.500  0.310  0.128  1.0
  K  K1  1  0.000  0.814  0.622  1.0
  K  K2  1  0.500  0.690  0.872  1.0
  K  K3  1  0.000  0.186  0.378  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  Yb  Yb5  1  0.500  0.500  0.500  1.0
  Mo  Mo6  1  0.000  0.598  0.218  1.0
  Mo  Mo7  1  0.500  0.110  0.696  1.0
  Mo  Mo8  1  0.000  0.402  0.782  1.0
  Mo  Mo9  1  0.500  0.890  0.304  1.0
  O  O10  1  0.500  0.173  0.887  1.0
  O  O11  1  0.000  0.705  0.362  1.0
  O  O12  1  0.500  0.827  0.113  1.0
  O  O13  1  0.000  0.295  0.638  1.0
  O  O14  1  0.248  0.494  0.265  1.0
  O  O15  1  0.736  0.003  0.702  1.0
  O  O16  1  0.752  0.494  0.265  1.0
  O  O17  1  0.264  0.003  0.702  1.0
  O  O18  1  0.000  0.707  0.991  1.0
  O  O19  1  0.500  0.260  0.498  1.0
  O  O20  1  0.752  0.506  0.735  1.0
  O  O21  1  0.264  0.997  0.298  1.0
  O  O22  1  0.248  0.506  0.735  1.0
  O  O23  1  0.736  0.997  0.298  1.0
  O  O24  1  0.000  0.293  0.009  1.0
  O  O25  1  0.500  0.740  0.502  1.0
[/CIF]
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The material described by K5Yb(MoO4)4 crystallizes in the monoclinic P2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 4-coordinate geometry to one O(1), one O(6), two equivalent O(3), and two equivalent O(5) atoms. In the second K site, K(2) is bonded in a 4-coordinate geometry to one O(2), one O(5), and two equivalent O(4) atoms. In the third K site, K(3) is bonded in a 6-coordinate geometry to two equivalent O(5) and four equivalent O(4) atoms. Yb(1) is bonded to two equivalent O(6) and four equivalent O(3) atoms to form distorted YbO6 octahedra that share corners with two equivalent Mo(2)O4 tetrahedra and corners with four equivalent Mo(1)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(5), and two equivalent O(3) atoms to form MoO4 tetrahedra that share corners with two equivalent Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 56°. In the second Mo site, Mo(2) is bonded to one O(1), one O(6), and two equivalent O(4) atoms to form MoO4 tetrahedra that share  a cornercorner with one Yb(1)O6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one K(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one K(2) and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one K(2), one K(3), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one K(2), one K(3), two equivalent K(1), and one Mo(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Yb(1), and one Mo(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K5Yb(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.138
_cell_length_b   9.993
_cell_length_c   7.821
_cell_angle_alpha   73.429
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   459.817
_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  0.500  0.310  0.128  1.0
  K  K1  1  0.000  0.814  0.622  1.0
  K  K2  1  0.500  0.690  0.872  1.0
  K  K3  1  0.000  0.186  0.378  1.0
  K  K4  1  0.000  0.000  0.000  1.0
  Yb  Yb5  1  0.500  0.500  0.500  1.0
  Mo  Mo6  1  0.000  0.598  0.218  1.0
  Mo  Mo7  1  0.500  0.110  0.696  1.0
  Mo  Mo8  1  0.000  0.402  0.782  1.0
  Mo  Mo9  1  0.500  0.890  0.304  1.0
  O  O10  1  0.500  0.173  0.887  1.0
  O  O11  1  0.000  0.705  0.362  1.0
  O  O12  1  0.500  0.827  0.113  1.0
  O  O13  1  0.000  0.295  0.638  1.0
  O  O14  1  0.248  0.494  0.265  1.0
  O  O15  1  0.736  0.003  0.702  1.0
  O  O16  1  0.752  0.494  0.265  1.0
  O  O17  1  0.264  0.003  0.702  1.0
  O  O18  1  0.000  0.707  0.991  1.0
  O  O19  1  0.500  0.260  0.498  1.0
  O  O20  1  0.752  0.506  0.735  1.0
  O  O21  1  0.264  0.997  0.298  1.0
  O  O22  1  0.248  0.506  0.735  1.0
  O  O23  1  0.736  0.997  0.298  1.0
  O  O24  1  0.000  0.293  0.009  1.0
  O  O25  1  0.500  0.740  0.502  1.0
[/CIF]
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