The material described by Hg3AsO4Br crystallizes in the cubic P2_13 space group. Hg(1) is bonded in a 2-coordinate geometry to two equivalent O(1) and one Br(1) atom. As(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Hg(1) and one As(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one As(1) atom. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3AsBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.701
_cell_length_b   8.701
_cell_length_c   8.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.746
_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
  Hg  Hg0  1  0.894  0.858  0.553  1.0
  Hg  Hg1  1  0.142  0.053  0.606  1.0
  Hg  Hg2  1  0.394  0.642  0.447  1.0
  Hg  Hg3  1  0.358  0.947  0.106  1.0
  Hg  Hg4  1  0.053  0.606  0.142  1.0
  Hg  Hg5  1  0.606  0.142  0.053  1.0
  Hg  Hg6  1  0.947  0.106  0.358  1.0
  Hg  Hg7  1  0.553  0.894  0.858  1.0
  Hg  Hg8  1  0.642  0.447  0.394  1.0
  Hg  Hg9  1  0.447  0.394  0.642  1.0
  Hg  Hg10  1  0.858  0.553  0.894  1.0
  Hg  Hg11  1  0.106  0.358  0.947  1.0
  As  As12  1  0.517  0.017  0.483  1.0
  As  As13  1  0.483  0.517  0.017  1.0
  As  As14  1  0.983  0.983  0.983  1.0
  As  As15  1  0.017  0.483  0.517  1.0
  Br  Br16  1  0.264  0.764  0.736  1.0
  Br  Br17  1  0.236  0.236  0.236  1.0
  Br  Br18  1  0.764  0.736  0.264  1.0
  Br  Br19  1  0.736  0.264  0.764  1.0
  O  O20  1  0.602  0.396  0.124  1.0
  O  O21  1  0.896  0.376  0.398  1.0
  O  O22  1  0.604  0.624  0.898  1.0
  O  O23  1  0.104  0.876  0.102  1.0
  O  O24  1  0.102  0.104  0.876  1.0
  O  O25  1  0.630  0.130  0.370  1.0
  O  O26  1  0.398  0.896  0.376  1.0
  O  O27  1  0.898  0.604  0.624  1.0
  O  O28  1  0.870  0.870  0.870  1.0
  O  O29  1  0.130  0.370  0.630  1.0
  O  O30  1  0.370  0.630  0.130  1.0
  O  O31  1  0.376  0.398  0.896  1.0
  O  O32  1  0.124  0.602  0.396  1.0
  O  O33  1  0.876  0.102  0.104  1.0
  O  O34  1  0.624  0.898  0.604  1.0
  O  O35  1  0.396  0.124  0.602  1.0
[/CIF]
.
The material described by Hg3AsO4Br crystallizes in the cubic P2_13 space group. Hg(1) is bonded in a 2-coordinate geometry to two equivalent O(1) and one Br(1) atom. As(1) is bonded in a tetrahedral geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Hg(1) and one As(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one As(1) atom. Br(1) is bonded in a distorted T-shaped geometry to three equivalent Hg(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hg3AsBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.701
_cell_length_b   8.701
_cell_length_c   8.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   658.746
_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
  Hg  Hg0  1  0.894  0.858  0.553  1.0
  Hg  Hg1  1  0.142  0.053  0.606  1.0
  Hg  Hg2  1  0.394  0.642  0.447  1.0
  Hg  Hg3  1  0.358  0.947  0.106  1.0
  Hg  Hg4  1  0.053  0.606  0.142  1.0
  Hg  Hg5  1  0.606  0.142  0.053  1.0
  Hg  Hg6  1  0.947  0.106  0.358  1.0
  Hg  Hg7  1  0.553  0.894  0.858  1.0
  Hg  Hg8  1  0.642  0.447  0.394  1.0
  Hg  Hg9  1  0.447  0.394  0.642  1.0
  Hg  Hg10  1  0.858  0.553  0.894  1.0
  Hg  Hg11  1  0.106  0.358  0.947  1.0
  As  As12  1  0.517  0.017  0.483  1.0
  As  As13  1  0.483  0.517  0.017  1.0
  As  As14  1  0.983  0.983  0.983  1.0
  As  As15  1  0.017  0.483  0.517  1.0
  Br  Br16  1  0.264  0.764  0.736  1.0
  Br  Br17  1  0.236  0.236  0.236  1.0
  Br  Br18  1  0.764  0.736  0.264  1.0
  Br  Br19  1  0.736  0.264  0.764  1.0
  O  O20  1  0.602  0.396  0.124  1.0
  O  O21  1  0.896  0.376  0.398  1.0
  O  O22  1  0.604  0.624  0.898  1.0
  O  O23  1  0.104  0.876  0.102  1.0
  O  O24  1  0.102  0.104  0.876  1.0
  O  O25  1  0.630  0.130  0.370  1.0
  O  O26  1  0.398  0.896  0.376  1.0
  O  O27  1  0.898  0.604  0.624  1.0
  O  O28  1  0.870  0.870  0.870  1.0
  O  O29  1  0.130  0.370  0.630  1.0
  O  O30  1  0.370  0.630  0.130  1.0
  O  O31  1  0.376  0.398  0.896  1.0
  O  O32  1  0.124  0.602  0.396  1.0
  O  O33  1  0.876  0.102  0.104  1.0
  O  O34  1  0.624  0.898  0.604  1.0
  O  O35  1  0.396  0.124  0.602  1.0
[/CIF]
.