The compound described by CsTm(MoO4)2 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), and six equivalent O(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Tm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Tm(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_CsTm(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   8.134
_cell_length_c   9.760
_cell_angle_alpha   87.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.272
_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  0.466  0.750  0.500  1.0
  Cs  Cs1  1  0.534  0.250  0.500  1.0
  Tm  Tm2  1  0.501  0.750  0.000  1.0
  Tm  Tm3  1  0.499  0.250  0.000  1.0
  Mo  Mo4  1  0.977  0.491  0.190  1.0
  Mo  Mo5  1  0.023  0.509  0.810  1.0
  Mo  Mo6  1  0.977  0.009  0.810  1.0
  Mo  Mo7  1  0.023  0.991  0.190  1.0
  O  O8  1  0.892  0.983  0.356  1.0
  O  O9  1  0.108  0.017  0.644  1.0
  O  O10  1  0.892  0.517  0.644  1.0
  O  O11  1  0.108  0.483  0.356  1.0
  O  O12  1  0.757  0.317  0.179  1.0
  O  O13  1  0.243  0.683  0.821  1.0
  O  O14  1  0.757  0.183  0.821  1.0
  O  O15  1  0.243  0.817  0.179  1.0
  O  O16  1  0.744  0.997  0.065  1.0
  O  O17  1  0.256  0.003  0.935  1.0
  O  O18  1  0.744  0.503  0.935  1.0
  O  O19  1  0.256  0.497  0.065  1.0
  O  O20  1  0.758  0.668  0.180  1.0
  O  O21  1  0.242  0.332  0.820  1.0
  O  O22  1  0.758  0.832  0.820  1.0
  O  O23  1  0.242  0.168  0.180  1.0
[/CIF]
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The compound described by CsTm(MoO4)2 crystallizes in the monoclinic P2/c space group. Cs(1) is bonded in a 10-coordinate geometry to two equivalent O(2), two equivalent O(4), and six equivalent O(1) atoms. Tm(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to three equivalent Cs(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Tm(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Tm(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cs(1), one Tm(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_CsTm(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.045
_cell_length_b   8.134
_cell_length_c   9.760
_cell_angle_alpha   87.986
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   400.272
_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  0.466  0.750  0.500  1.0
  Cs  Cs1  1  0.534  0.250  0.500  1.0
  Tm  Tm2  1  0.501  0.750  0.000  1.0
  Tm  Tm3  1  0.499  0.250  0.000  1.0
  Mo  Mo4  1  0.977  0.491  0.190  1.0
  Mo  Mo5  1  0.023  0.509  0.810  1.0
  Mo  Mo6  1  0.977  0.009  0.810  1.0
  Mo  Mo7  1  0.023  0.991  0.190  1.0
  O  O8  1  0.892  0.983  0.356  1.0
  O  O9  1  0.108  0.017  0.644  1.0
  O  O10  1  0.892  0.517  0.644  1.0
  O  O11  1  0.108  0.483  0.356  1.0
  O  O12  1  0.757  0.317  0.179  1.0
  O  O13  1  0.243  0.683  0.821  1.0
  O  O14  1  0.757  0.183  0.821  1.0
  O  O15  1  0.243  0.817  0.179  1.0
  O  O16  1  0.744  0.997  0.065  1.0
  O  O17  1  0.256  0.003  0.935  1.0
  O  O18  1  0.744  0.503  0.935  1.0
  O  O19  1  0.256  0.497  0.065  1.0
  O  O20  1  0.758  0.668  0.180  1.0
  O  O21  1  0.242  0.332  0.820  1.0
  O  O22  1  0.758  0.832  0.820  1.0
  O  O23  1  0.242  0.168  0.180  1.0
[/CIF]
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