The compound described by KTb(MoO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent Tb(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KTb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.525
_cell_length_b   7.525
_cell_length_c   7.787
_cell_angle_alpha   61.676
_cell_angle_beta   61.676
_cell_angle_gamma   88.105
_symmetry_Int_Tables_number   1
_cell_volume   331.008
_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
  K  K0  1  0.200  0.800  0.750  1.0
  K  K1  1  0.800  0.200  0.250  1.0
  Tb  Tb2  1  0.771  0.229  0.750  1.0
  Tb  Tb3  1  0.229  0.771  0.250  1.0
  Mo  Mo4  1  0.695  0.698  0.761  1.0
  Mo  Mo5  1  0.305  0.302  0.239  1.0
  Mo  Mo6  1  0.302  0.305  0.739  1.0
  Mo  Mo7  1  0.698  0.695  0.261  1.0
  O  O8  1  0.613  0.769  0.561  1.0
  O  O9  1  0.387  0.231  0.439  1.0
  O  O10  1  0.231  0.387  0.939  1.0
  O  O11  1  0.769  0.613  0.061  1.0
  O  O12  1  0.383  0.068  0.875  1.0
  O  O13  1  0.617  0.932  0.125  1.0
  O  O14  1  0.932  0.617  0.625  1.0
  O  O15  1  0.068  0.383  0.375  1.0
  O  O16  1  0.585  0.367  0.971  1.0
  O  O17  1  0.415  0.633  0.029  1.0
  O  O18  1  0.633  0.415  0.529  1.0
  O  O19  1  0.367  0.585  0.471  1.0
  O  O20  1  0.793  0.953  0.691  1.0
  O  O21  1  0.207  0.047  0.309  1.0
  O  O22  1  0.047  0.207  0.809  1.0
  O  O23  1  0.953  0.793  0.191  1.0
[/CIF]
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The compound described by KTb(MoO4)2 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and four equivalent O(1) atoms. Tb(1) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), and four equivalent O(2) atoms. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one K(1), two equivalent Tb(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Tb(1), and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one K(1), one Tb(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_KTb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.525
_cell_length_b   7.525
_cell_length_c   7.787
_cell_angle_alpha   61.676
_cell_angle_beta   61.676
_cell_angle_gamma   88.105
_symmetry_Int_Tables_number   1
_cell_volume   331.008
_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
  K  K0  1  0.200  0.800  0.750  1.0
  K  K1  1  0.800  0.200  0.250  1.0
  Tb  Tb2  1  0.771  0.229  0.750  1.0
  Tb  Tb3  1  0.229  0.771  0.250  1.0
  Mo  Mo4  1  0.695  0.698  0.761  1.0
  Mo  Mo5  1  0.305  0.302  0.239  1.0
  Mo  Mo6  1  0.302  0.305  0.739  1.0
  Mo  Mo7  1  0.698  0.695  0.261  1.0
  O  O8  1  0.613  0.769  0.561  1.0
  O  O9  1  0.387  0.231  0.439  1.0
  O  O10  1  0.231  0.387  0.939  1.0
  O  O11  1  0.769  0.613  0.061  1.0
  O  O12  1  0.383  0.068  0.875  1.0
  O  O13  1  0.617  0.932  0.125  1.0
  O  O14  1  0.932  0.617  0.625  1.0
  O  O15  1  0.068  0.383  0.375  1.0
  O  O16  1  0.585  0.367  0.971  1.0
  O  O17  1  0.415  0.633  0.029  1.0
  O  O18  1  0.633  0.415  0.529  1.0
  O  O19  1  0.367  0.585  0.471  1.0
  O  O20  1  0.793  0.953  0.691  1.0
  O  O21  1  0.207  0.047  0.309  1.0
  O  O22  1  0.047  0.207  0.809  1.0
  O  O23  1  0.953  0.793  0.191  1.0
[/CIF]
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