The material described by CsTb(MoO4)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) 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 Cs(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(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 Cs(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 two equivalent Cs(1), one Tb(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.630
_cell_length_b   7.630
_cell_length_c   7.836
_cell_angle_alpha   62.028
_cell_angle_beta   62.028
_cell_angle_gamma   88.583
_symmetry_Int_Tables_number   1
_cell_volume   344.473
_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
  Cs  Cs0  1  0.196  0.804  0.750  1.0
  Cs  Cs1  1  0.804  0.196  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  0.693  0.766  1.0
  Mo  Mo5  1  0.305  0.307  0.234  1.0
  Mo  Mo6  1  0.307  0.305  0.734  1.0
  Mo  Mo7  1  0.693  0.695  0.266  1.0
  O  O8  1  0.615  0.759  0.568  1.0
  O  O9  1  0.385  0.241  0.432  1.0
  O  O10  1  0.241  0.385  0.932  1.0
  O  O11  1  0.759  0.615  0.068  1.0
  O  O12  1  0.379  0.069  0.877  1.0
  O  O13  1  0.621  0.931  0.123  1.0
  O  O14  1  0.931  0.621  0.623  1.0
  O  O15  1  0.069  0.379  0.377  1.0
  O  O16  1  0.585  0.370  0.966  1.0
  O  O17  1  0.415  0.630  0.034  1.0
  O  O18  1  0.630  0.415  0.534  1.0
  O  O19  1  0.370  0.585  0.466  1.0
  O  O20  1  0.785  0.946  0.702  1.0
  O  O21  1  0.215  0.054  0.298  1.0
  O  O22  1  0.054  0.215  0.798  1.0
  O  O23  1  0.946  0.785  0.202  1.0
[/CIF]
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The material described by CsTb(MoO4)2 crystallizes in the monoclinic C2/c space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent O(2), two equivalent O(3), four equivalent O(1), and four equivalent O(4) 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 Cs(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a 2-coordinate geometry to one Cs(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 Cs(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 two equivalent Cs(1), one Tb(1), and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsTb(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.630
_cell_length_b   7.630
_cell_length_c   7.836
_cell_angle_alpha   62.028
_cell_angle_beta   62.028
_cell_angle_gamma   88.583
_symmetry_Int_Tables_number   1
_cell_volume   344.473
_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
  Cs  Cs0  1  0.196  0.804  0.750  1.0
  Cs  Cs1  1  0.804  0.196  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  0.693  0.766  1.0
  Mo  Mo5  1  0.305  0.307  0.234  1.0
  Mo  Mo6  1  0.307  0.305  0.734  1.0
  Mo  Mo7  1  0.693  0.695  0.266  1.0
  O  O8  1  0.615  0.759  0.568  1.0
  O  O9  1  0.385  0.241  0.432  1.0
  O  O10  1  0.241  0.385  0.932  1.0
  O  O11  1  0.759  0.615  0.068  1.0
  O  O12  1  0.379  0.069  0.877  1.0
  O  O13  1  0.621  0.931  0.123  1.0
  O  O14  1  0.931  0.621  0.623  1.0
  O  O15  1  0.069  0.379  0.377  1.0
  O  O16  1  0.585  0.370  0.966  1.0
  O  O17  1  0.415  0.630  0.034  1.0
  O  O18  1  0.630  0.415  0.534  1.0
  O  O19  1  0.370  0.585  0.466  1.0
  O  O20  1  0.785  0.946  0.702  1.0
  O  O21  1  0.215  0.054  0.298  1.0
  O  O22  1  0.054  0.215  0.798  1.0
  O  O23  1  0.946  0.785  0.202  1.0
[/CIF]
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