The material described by Hg2Mo5O16 crystallizes in the monoclinic P2/c space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. Hg(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Mo(1) and one Mo(3) atom. In the second O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. In the third O site, O(8) is bonded in a distorted single-bond geometry to one Mo(2) and one Mo(3) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Hg(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Mo(3) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one Mo(2) and one Hg(1) atom. In the seventh O site, O(4) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Hg(1) atom. In the eighth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. is represented by the CIF card [CIF]
data_Hg2Mo5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   9.404
_cell_length_c   14.573
_cell_angle_alpha   70.598
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.092
_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
  Hg  Hg0  1  0.728  0.411  0.198  1.0
  Hg  Hg1  1  0.728  0.589  0.302  1.0
  Hg  Hg2  1  0.272  0.589  0.802  1.0
  Hg  Hg3  1  0.272  0.411  0.698  1.0
  Mo  Mo4  1  0.625  0.000  0.250  1.0
  Mo  Mo5  1  0.375  0.000  0.750  1.0
  Mo  Mo6  1  0.277  0.232  0.071  1.0
  Mo  Mo7  1  0.277  0.768  0.429  1.0
  Mo  Mo8  1  0.723  0.768  0.929  1.0
  Mo  Mo9  1  0.723  0.232  0.571  1.0
  Mo  Mo10  1  0.176  0.129  0.413  1.0
  Mo  Mo11  1  0.176  0.871  0.087  1.0
  Mo  Mo12  1  0.824  0.871  0.587  1.0
  Mo  Mo13  1  0.824  0.129  0.913  1.0
  O  O14  1  0.331  0.402  0.979  1.0
  O  O15  1  0.331  0.598  0.521  1.0
  O  O16  1  0.669  0.598  0.021  1.0
  O  O17  1  0.669  0.402  0.479  1.0
  O  O18  1  0.143  0.305  0.327  1.0
  O  O19  1  0.143  0.695  0.173  1.0
  O  O20  1  0.857  0.695  0.673  1.0
  O  O21  1  0.857  0.305  0.827  1.0
  O  O22  1  0.044  0.279  0.134  1.0
  O  O23  1  0.044  0.721  0.366  1.0
  O  O24  1  0.956  0.721  0.866  1.0
  O  O25  1  0.956  0.279  0.634  1.0
  O  O26  1  0.538  0.212  0.166  1.0
  O  O27  1  0.538  0.788  0.334  1.0
  O  O28  1  0.677  0.011  0.845  1.0
  O  O29  1  0.677  0.989  0.655  1.0
  O  O30  1  0.323  0.989  0.155  1.0
  O  O31  1  0.323  0.011  0.345  1.0
  O  O32  1  0.818  0.062  0.323  1.0
  O  O33  1  0.818  0.938  0.177  1.0
  O  O34  1  0.182  0.938  0.677  1.0
  O  O35  1  0.182  0.062  0.823  1.0
  O  O36  1  0.902  0.120  0.500  1.0
  O  O37  1  0.902  0.880  1.000  1.0
  O  O38  1  0.098  0.880  0.500  1.0
  O  O39  1  0.098  0.120  0.000  1.0
  O  O40  1  0.594  0.155  0.987  1.0
  O  O41  1  0.594  0.845  0.513  1.0
  O  O42  1  0.406  0.845  0.013  1.0
  O  O43  1  0.406  0.155  0.487  1.0
  O  O44  1  0.462  0.212  0.666  1.0
  O  O45  1  0.462  0.788  0.834  1.0
[/CIF]
.
The material described by Hg2Mo5O16 crystallizes in the monoclinic P2/c space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 6-coordinate geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. Hg(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. There are eight inequivalent O sites. In the first O site, O(6) is bonded in a single-bond geometry to one Mo(1) and one Mo(3) atom. In the second O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. In the third O site, O(8) is bonded in a distorted single-bond geometry to one Mo(2) and one Mo(3) atom. In the fourth O site, O(1) is bonded in a distorted single-bond geometry to one Mo(2) and one Hg(1) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Mo(3) atom. In the sixth O site, O(3) is bonded in a distorted single-bond geometry to one Mo(2) and one Hg(1) atom. In the seventh O site, O(4) is bonded in a trigonal planar geometry to one Mo(1), one Mo(2), and one Hg(1) atom. In the eighth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. is represented by the CIF card [CIF]
data_Hg2Mo5O16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.640
_cell_length_b   9.404
_cell_length_c   14.573
_cell_angle_alpha   70.598
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   729.092
_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
  Hg  Hg0  1  0.728  0.411  0.198  1.0
  Hg  Hg1  1  0.728  0.589  0.302  1.0
  Hg  Hg2  1  0.272  0.589  0.802  1.0
  Hg  Hg3  1  0.272  0.411  0.698  1.0
  Mo  Mo4  1  0.625  0.000  0.250  1.0
  Mo  Mo5  1  0.375  0.000  0.750  1.0
  Mo  Mo6  1  0.277  0.232  0.071  1.0
  Mo  Mo7  1  0.277  0.768  0.429  1.0
  Mo  Mo8  1  0.723  0.768  0.929  1.0
  Mo  Mo9  1  0.723  0.232  0.571  1.0
  Mo  Mo10  1  0.176  0.129  0.413  1.0
  Mo  Mo11  1  0.176  0.871  0.087  1.0
  Mo  Mo12  1  0.824  0.871  0.587  1.0
  Mo  Mo13  1  0.824  0.129  0.913  1.0
  O  O14  1  0.331  0.402  0.979  1.0
  O  O15  1  0.331  0.598  0.521  1.0
  O  O16  1  0.669  0.598  0.021  1.0
  O  O17  1  0.669  0.402  0.479  1.0
  O  O18  1  0.143  0.305  0.327  1.0
  O  O19  1  0.143  0.695  0.173  1.0
  O  O20  1  0.857  0.695  0.673  1.0
  O  O21  1  0.857  0.305  0.827  1.0
  O  O22  1  0.044  0.279  0.134  1.0
  O  O23  1  0.044  0.721  0.366  1.0
  O  O24  1  0.956  0.721  0.866  1.0
  O  O25  1  0.956  0.279  0.634  1.0
  O  O26  1  0.538  0.212  0.166  1.0
  O  O27  1  0.538  0.788  0.334  1.0
  O  O28  1  0.677  0.011  0.845  1.0
  O  O29  1  0.677  0.989  0.655  1.0
  O  O30  1  0.323  0.989  0.155  1.0
  O  O31  1  0.323  0.011  0.345  1.0
  O  O32  1  0.818  0.062  0.323  1.0
  O  O33  1  0.818  0.938  0.177  1.0
  O  O34  1  0.182  0.938  0.677  1.0
  O  O35  1  0.182  0.062  0.823  1.0
  O  O36  1  0.902  0.120  0.500  1.0
  O  O37  1  0.902  0.880  1.000  1.0
  O  O38  1  0.098  0.880  0.500  1.0
  O  O39  1  0.098  0.120  0.000  1.0
  O  O40  1  0.594  0.155  0.987  1.0
  O  O41  1  0.594  0.845  0.513  1.0
  O  O42  1  0.406  0.845  0.013  1.0
  O  O43  1  0.406  0.155  0.487  1.0
  O  O44  1  0.462  0.212  0.666  1.0
  O  O45  1  0.462  0.788  0.834  1.0
[/CIF]
.