The compound described by YbMoO4Cl crystallizes in the monoclinic C2/m space group. Yb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_YbMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.790
_cell_angle_alpha   77.500
_cell_angle_beta   77.500
_cell_angle_gamma   69.338
_symmetry_Int_Tables_number   1
_cell_volume   255.074
_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
  Yb  Yb0  1  0.233  0.233  0.889  1.0
  Yb  Yb1  1  0.767  0.767  0.111  1.0
  Mo  Mo2  1  0.364  0.364  0.268  1.0
  Mo  Mo3  1  0.636  0.636  0.732  1.0
  Cl  Cl4  1  0.992  0.992  0.760  1.0
  Cl  Cl5  1  0.008  0.008  0.240  1.0
  O  O6  1  0.114  0.492  0.155  1.0
  O  O7  1  0.460  0.460  0.793  1.0
  O  O8  1  0.492  0.114  0.155  1.0
  O  O9  1  0.540  0.540  0.207  1.0
  O  O10  1  0.886  0.508  0.845  1.0
  O  O11  1  0.508  0.886  0.845  1.0
  O  O12  1  0.300  0.300  0.540  1.0
  O  O13  1  0.700  0.700  0.460  1.0
[/CIF]
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The compound described by YbMoO4Cl crystallizes in the monoclinic C2/m space group. Yb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), four equivalent O(1), and two equivalent Cl(1) atoms. Mo(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Yb(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Yb(1) and one Mo(1) atom. Cl(1) is bonded in a water-like geometry to two equivalent Yb(1) atoms. is represented by the CIF card [CIF]
data_YbMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.451
_cell_length_b   6.451
_cell_length_c   6.790
_cell_angle_alpha   77.500
_cell_angle_beta   77.500
_cell_angle_gamma   69.338
_symmetry_Int_Tables_number   1
_cell_volume   255.074
_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
  Yb  Yb0  1  0.233  0.233  0.889  1.0
  Yb  Yb1  1  0.767  0.767  0.111  1.0
  Mo  Mo2  1  0.364  0.364  0.268  1.0
  Mo  Mo3  1  0.636  0.636  0.732  1.0
  Cl  Cl4  1  0.992  0.992  0.760  1.0
  Cl  Cl5  1  0.008  0.008  0.240  1.0
  O  O6  1  0.114  0.492  0.155  1.0
  O  O7  1  0.460  0.460  0.793  1.0
  O  O8  1  0.492  0.114  0.155  1.0
  O  O9  1  0.540  0.540  0.207  1.0
  O  O10  1  0.886  0.508  0.845  1.0
  O  O11  1  0.508  0.886  0.845  1.0
  O  O12  1  0.300  0.300  0.540  1.0
  O  O13  1  0.700  0.700  0.460  1.0
[/CIF]
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