The compound described by CrHgO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Hg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Hg(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Hg(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Hg(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrHgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.470
_cell_length_b   5.532
_cell_length_c   8.826
_cell_angle_alpha   55.586
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.219
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.311  0.609  0.162  1.0
  Cr  Cr1  1  0.189  0.609  0.662  1.0
  Cr  Cr2  1  0.811  0.391  0.338  1.0
  Cr  Cr3  1  0.689  0.391  0.838  1.0
  Hg  Hg4  1  0.461  0.089  0.664  1.0
  Hg  Hg5  1  0.961  0.911  0.836  1.0
  Hg  Hg6  1  0.539  0.911  0.336  1.0
  Hg  Hg7  1  0.039  0.089  0.164  1.0
  O  O8  1  0.279  0.274  0.221  1.0
  O  O9  1  0.779  0.726  0.279  1.0
  O  O10  1  0.721  0.726  0.779  1.0
  O  O11  1  0.221  0.274  0.721  1.0
  O  O12  1  0.433  0.769  0.992  1.0
  O  O13  1  0.933  0.231  0.508  1.0
  O  O14  1  0.567  0.231  0.008  1.0
  O  O15  1  0.067  0.769  0.492  1.0
  O  O16  1  0.360  0.797  0.603  1.0
  O  O17  1  0.860  0.203  0.897  1.0
  O  O18  1  0.640  0.203  0.397  1.0
  O  O19  1  0.140  0.797  0.103  1.0
  O  O20  1  0.114  0.592  0.843  1.0
  O  O21  1  0.614  0.408  0.657  1.0
  O  O22  1  0.886  0.408  0.157  1.0
  O  O23  1  0.386  0.592  0.343  1.0
[/CIF]
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The compound described by CrHgO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Hg(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Cr(1) and one Hg(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Hg(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Hg(1) atoms. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrHgO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.470
_cell_length_b   5.532
_cell_length_c   8.826
_cell_angle_alpha   55.586
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   341.219
_cell_formula_units_Z   4
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
  Cr  Cr0  1  0.311  0.609  0.162  1.0
  Cr  Cr1  1  0.189  0.609  0.662  1.0
  Cr  Cr2  1  0.811  0.391  0.338  1.0
  Cr  Cr3  1  0.689  0.391  0.838  1.0
  Hg  Hg4  1  0.461  0.089  0.664  1.0
  Hg  Hg5  1  0.961  0.911  0.836  1.0
  Hg  Hg6  1  0.539  0.911  0.336  1.0
  Hg  Hg7  1  0.039  0.089  0.164  1.0
  O  O8  1  0.279  0.274  0.221  1.0
  O  O9  1  0.779  0.726  0.279  1.0
  O  O10  1  0.721  0.726  0.779  1.0
  O  O11  1  0.221  0.274  0.721  1.0
  O  O12  1  0.433  0.769  0.992  1.0
  O  O13  1  0.933  0.231  0.508  1.0
  O  O14  1  0.567  0.231  0.008  1.0
  O  O15  1  0.067  0.769  0.492  1.0
  O  O16  1  0.360  0.797  0.603  1.0
  O  O17  1  0.860  0.203  0.897  1.0
  O  O18  1  0.640  0.203  0.397  1.0
  O  O19  1  0.140  0.797  0.103  1.0
  O  O20  1  0.114  0.592  0.843  1.0
  O  O21  1  0.614  0.408  0.657  1.0
  O  O22  1  0.886  0.408  0.157  1.0
  O  O23  1  0.386  0.592  0.343  1.0
[/CIF]
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