The crystal structure described by HfMo2O8 crystallizes in the monoclinic C2/c space group. Hf(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   7.559
_cell_angle_alpha   64.098
_cell_angle_beta   64.098
_cell_angle_gamma   70.367
_symmetry_Int_Tables_number   1
_cell_volume   296.559
_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
  Hf  Hf0  1  0.980  0.020  0.750  1.0
  Hf  Hf1  1  0.020  0.980  0.250  1.0
  Mo  Mo2  1  0.062  0.507  0.758  1.0
  Mo  Mo3  1  0.507  0.062  0.258  1.0
  Mo  Mo4  1  0.938  0.493  0.242  1.0
  Mo  Mo5  1  0.493  0.938  0.742  1.0
  O  O6  1  0.053  0.655  0.288  1.0
  O  O7  1  0.004  0.686  0.938  1.0
  O  O8  1  0.655  0.053  0.788  1.0
  O  O9  1  0.416  0.333  0.165  1.0
  O  O10  1  0.796  0.020  0.078  1.0
  O  O11  1  0.345  0.947  0.212  1.0
  O  O12  1  0.204  0.980  0.922  1.0
  O  O13  1  0.980  0.204  0.422  1.0
  O  O14  1  0.333  0.416  0.665  1.0
  O  O15  1  0.947  0.345  0.712  1.0
  O  O16  1  0.020  0.796  0.578  1.0
  O  O17  1  0.314  0.996  0.562  1.0
  O  O18  1  0.996  0.314  0.062  1.0
  O  O19  1  0.667  0.584  0.335  1.0
  O  O20  1  0.584  0.667  0.835  1.0
  O  O21  1  0.686  0.004  0.438  1.0
[/CIF]
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The crystal structure described by HfMo2O8 crystallizes in the monoclinic C2/c space group. Hf(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Hf(1) and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Hf(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Hf(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.020
_cell_length_b   7.020
_cell_length_c   7.559
_cell_angle_alpha   64.098
_cell_angle_beta   64.098
_cell_angle_gamma   70.367
_symmetry_Int_Tables_number   1
_cell_volume   296.559
_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
  Hf  Hf0  1  0.980  0.020  0.750  1.0
  Hf  Hf1  1  0.020  0.980  0.250  1.0
  Mo  Mo2  1  0.062  0.507  0.758  1.0
  Mo  Mo3  1  0.507  0.062  0.258  1.0
  Mo  Mo4  1  0.938  0.493  0.242  1.0
  Mo  Mo5  1  0.493  0.938  0.742  1.0
  O  O6  1  0.053  0.655  0.288  1.0
  O  O7  1  0.004  0.686  0.938  1.0
  O  O8  1  0.655  0.053  0.788  1.0
  O  O9  1  0.416  0.333  0.165  1.0
  O  O10  1  0.796  0.020  0.078  1.0
  O  O11  1  0.345  0.947  0.212  1.0
  O  O12  1  0.204  0.980  0.922  1.0
  O  O13  1  0.980  0.204  0.422  1.0
  O  O14  1  0.333  0.416  0.665  1.0
  O  O15  1  0.947  0.345  0.712  1.0
  O  O16  1  0.020  0.796  0.578  1.0
  O  O17  1  0.314  0.996  0.562  1.0
  O  O18  1  0.996  0.314  0.062  1.0
  O  O19  1  0.667  0.584  0.335  1.0
  O  O20  1  0.584  0.667  0.835  1.0
  O  O21  1  0.686  0.004  0.438  1.0
[/CIF]
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