The material described by AgO4Br crystallizes in the orthorhombic Pnma space group. Ag(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ag(1) and one Br(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. Br(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_AgBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   7.394
_cell_length_c   8.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.858
_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
  Ag  Ag0  1  0.250  0.668  0.690  1.0
  Ag  Ag1  1  0.250  0.832  0.190  1.0
  Ag  Ag2  1  0.750  0.168  0.810  1.0
  Ag  Ag3  1  0.750  0.332  0.310  1.0
  Br  Br4  1  0.250  0.173  0.526  1.0
  Br  Br5  1  0.250  0.327  0.026  1.0
  Br  Br6  1  0.750  0.673  0.974  1.0
  Br  Br7  1  0.750  0.827  0.474  1.0
  O  O8  1  0.488  0.297  0.554  1.0
  O  O9  1  0.488  0.203  0.054  1.0
  O  O10  1  0.250  0.104  0.338  1.0
  O  O11  1  0.250  0.396  0.838  1.0
  O  O12  1  0.250  0.501  0.150  1.0
  O  O13  1  0.250  0.999  0.650  1.0
  O  O14  1  0.012  0.297  0.554  1.0
  O  O15  1  0.012  0.203  0.054  1.0
  O  O16  1  0.988  0.797  0.946  1.0
  O  O17  1  0.988  0.703  0.446  1.0
  O  O18  1  0.750  0.001  0.350  1.0
  O  O19  1  0.750  0.499  0.850  1.0
  O  O20  1  0.750  0.604  0.162  1.0
  O  O21  1  0.750  0.896  0.662  1.0
  O  O22  1  0.512  0.797  0.946  1.0
  O  O23  1  0.512  0.703  0.446  1.0
[/CIF]
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The material described by AgO4Br crystallizes in the orthorhombic Pnma space group. Ag(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ag(1) and one Br(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. Br(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. is represented by the CIF card [CIF]
data_AgBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.928
_cell_length_b   7.394
_cell_length_c   8.461
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   370.858
_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
  Ag  Ag0  1  0.250  0.668  0.690  1.0
  Ag  Ag1  1  0.250  0.832  0.190  1.0
  Ag  Ag2  1  0.750  0.168  0.810  1.0
  Ag  Ag3  1  0.750  0.332  0.310  1.0
  Br  Br4  1  0.250  0.173  0.526  1.0
  Br  Br5  1  0.250  0.327  0.026  1.0
  Br  Br6  1  0.750  0.673  0.974  1.0
  Br  Br7  1  0.750  0.827  0.474  1.0
  O  O8  1  0.488  0.297  0.554  1.0
  O  O9  1  0.488  0.203  0.054  1.0
  O  O10  1  0.250  0.104  0.338  1.0
  O  O11  1  0.250  0.396  0.838  1.0
  O  O12  1  0.250  0.501  0.150  1.0
  O  O13  1  0.250  0.999  0.650  1.0
  O  O14  1  0.012  0.297  0.554  1.0
  O  O15  1  0.012  0.203  0.054  1.0
  O  O16  1  0.988  0.797  0.946  1.0
  O  O17  1  0.988  0.703  0.446  1.0
  O  O18  1  0.750  0.001  0.350  1.0
  O  O19  1  0.750  0.499  0.850  1.0
  O  O20  1  0.750  0.604  0.162  1.0
  O  O21  1  0.750  0.896  0.662  1.0
  O  O22  1  0.512  0.797  0.946  1.0
  O  O23  1  0.512  0.703  0.446  1.0
[/CIF]
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