The material described by YbMoO4Cl crystallizes in the monoclinic C2/m space group. Yb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), four equivalent O(1), and one Cl(1) atom. 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 distorted T-shaped 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 2-coordinate geometry to one Yb(1) and one Cl(1) atom. is represented by the CIF card [CIF]
data_YbMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.762
_cell_length_c   6.972
_cell_angle_alpha   77.895
_cell_angle_beta   77.895
_cell_angle_gamma   62.267
_symmetry_Int_Tables_number   1
_cell_volume   273.556
_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  0.723  0.723  0.140  1.0
  Yb  Yb1  1  0.277  0.277  0.860  1.0
  Mo  Mo2  1  0.638  0.638  0.732  1.0
  Mo  Mo3  1  0.362  0.362  0.268  1.0
  Cl  Cl4  1  0.018  0.018  0.132  1.0
  Cl  Cl5  1  0.982  0.982  0.868  1.0
  O  O6  1  0.495  0.892  0.851  1.0
  O  O7  1  0.521  0.521  0.215  1.0
  O  O8  1  0.892  0.495  0.851  1.0
  O  O9  1  0.479  0.479  0.785  1.0
  O  O10  1  0.505  0.108  0.149  1.0
  O  O11  1  0.108  0.505  0.149  1.0
  O  O12  1  0.700  0.700  0.473  1.0
  O  O13  1  0.300  0.300  0.527  1.0
[/CIF]
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The material described by YbMoO4Cl crystallizes in the monoclinic C2/m space group. Yb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), four equivalent O(1), and one Cl(1) atom. 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 distorted T-shaped 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 2-coordinate geometry to one Yb(1) and one Cl(1) atom. is represented by the CIF card [CIF]
data_YbMoClO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.762
_cell_length_b   6.762
_cell_length_c   6.972
_cell_angle_alpha   77.895
_cell_angle_beta   77.895
_cell_angle_gamma   62.267
_symmetry_Int_Tables_number   1
_cell_volume   273.556
_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  0.723  0.723  0.140  1.0
  Yb  Yb1  1  0.277  0.277  0.860  1.0
  Mo  Mo2  1  0.638  0.638  0.732  1.0
  Mo  Mo3  1  0.362  0.362  0.268  1.0
  Cl  Cl4  1  0.018  0.018  0.132  1.0
  Cl  Cl5  1  0.982  0.982  0.868  1.0
  O  O6  1  0.495  0.892  0.851  1.0
  O  O7  1  0.521  0.521  0.215  1.0
  O  O8  1  0.892  0.495  0.851  1.0
  O  O9  1  0.479  0.479  0.785  1.0
  O  O10  1  0.505  0.108  0.149  1.0
  O  O11  1  0.108  0.505  0.149  1.0
  O  O12  1  0.700  0.700  0.473  1.0
  O  O13  1  0.300  0.300  0.527  1.0
[/CIF]
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