The structure described by HgZnAsHO5 crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. As(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Hg(1) and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Hg(1), two equivalent Zn(1), and one H(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Zn(1) and one As(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one As(1) atom. is represented by the CIF card [CIF]
data_ZnHgAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   7.762
_cell_length_c   8.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.904
_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
  Zn  Zn0  1  0.000  0.500  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.250  0.887  0.325  1.0
  Hg  Hg5  1  0.750  0.113  0.675  1.0
  Hg  Hg6  1  0.250  0.387  0.175  1.0
  Hg  Hg7  1  0.750  0.613  0.825  1.0
  As  As8  1  0.250  0.861  0.678  1.0
  As  As9  1  0.750  0.139  0.322  1.0
  As  As10  1  0.250  0.361  0.822  1.0
  As  As11  1  0.750  0.639  0.178  1.0
  H  H12  1  0.250  0.741  0.043  1.0
  H  H13  1  0.750  0.259  0.957  1.0
  H  H14  1  0.250  0.241  0.457  1.0
  H  H15  1  0.750  0.759  0.543  1.0
  O  O16  1  0.250  0.861  0.080  1.0
  O  O17  1  0.750  0.139  0.920  1.0
  O  O18  1  0.250  0.361  0.420  1.0
  O  O19  1  0.750  0.639  0.580  1.0
  O  O20  1  0.250  0.674  0.569  1.0
  O  O21  1  0.750  0.326  0.431  1.0
  O  O22  1  0.250  0.174  0.931  1.0
  O  O23  1  0.750  0.826  0.069  1.0
  O  O24  1  0.974  0.626  0.285  1.0
  O  O25  1  0.474  0.374  0.715  1.0
  O  O26  1  0.526  0.126  0.215  1.0
  O  O27  1  0.026  0.874  0.785  1.0
  O  O28  1  0.026  0.374  0.715  1.0
  O  O29  1  0.526  0.626  0.285  1.0
  O  O30  1  0.474  0.874  0.785  1.0
  O  O31  1  0.974  0.126  0.215  1.0
  O  O32  1  0.750  0.978  0.461  1.0
  O  O33  1  0.250  0.022  0.539  1.0
  O  O34  1  0.750  0.478  0.039  1.0
  O  O35  1  0.250  0.522  0.961  1.0
[/CIF]
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The structure described by HgZnAsHO5 crystallizes in the orthorhombic Pnma space group. Hg(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(4) atom. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Zn(1)O6 octahedra. As(1) is bonded to one O(2), one O(4), and two equivalent O(3) atoms to form AsO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-55°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are four inequivalent O sites. In the first O site, O(4) is bonded in a water-like geometry to one Hg(1) and one As(1) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one Hg(1), two equivalent Zn(1), and one H(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Zn(1) and one As(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Zn(1) and one As(1) atom. is represented by the CIF card [CIF]
data_ZnHgAsHO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.427
_cell_length_b   7.762
_cell_length_c   8.838
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   440.904
_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
  Zn  Zn0  1  0.000  0.500  0.500  1.0
  Zn  Zn1  1  0.500  0.500  0.500  1.0
  Zn  Zn2  1  0.500  0.000  0.000  1.0
  Zn  Zn3  1  0.000  0.000  0.000  1.0
  Hg  Hg4  1  0.250  0.887  0.325  1.0
  Hg  Hg5  1  0.750  0.113  0.675  1.0
  Hg  Hg6  1  0.250  0.387  0.175  1.0
  Hg  Hg7  1  0.750  0.613  0.825  1.0
  As  As8  1  0.250  0.861  0.678  1.0
  As  As9  1  0.750  0.139  0.322  1.0
  As  As10  1  0.250  0.361  0.822  1.0
  As  As11  1  0.750  0.639  0.178  1.0
  H  H12  1  0.250  0.741  0.043  1.0
  H  H13  1  0.750  0.259  0.957  1.0
  H  H14  1  0.250  0.241  0.457  1.0
  H  H15  1  0.750  0.759  0.543  1.0
  O  O16  1  0.250  0.861  0.080  1.0
  O  O17  1  0.750  0.139  0.920  1.0
  O  O18  1  0.250  0.361  0.420  1.0
  O  O19  1  0.750  0.639  0.580  1.0
  O  O20  1  0.250  0.674  0.569  1.0
  O  O21  1  0.750  0.326  0.431  1.0
  O  O22  1  0.250  0.174  0.931  1.0
  O  O23  1  0.750  0.826  0.069  1.0
  O  O24  1  0.974  0.626  0.285  1.0
  O  O25  1  0.474  0.374  0.715  1.0
  O  O26  1  0.526  0.126  0.215  1.0
  O  O27  1  0.026  0.874  0.785  1.0
  O  O28  1  0.026  0.374  0.715  1.0
  O  O29  1  0.526  0.626  0.285  1.0
  O  O30  1  0.474  0.874  0.785  1.0
  O  O31  1  0.974  0.126  0.215  1.0
  O  O32  1  0.750  0.978  0.461  1.0
  O  O33  1  0.250  0.022  0.539  1.0
  O  O34  1  0.750  0.478  0.039  1.0
  O  O35  1  0.250  0.522  0.961  1.0
[/CIF]
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