The crystal structure described by AgO4Br crystallizes in the monoclinic P2_1/c space group. Ag(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted AgO7 pentagonal bipyramids that share corners with two equivalent Ag(1)O7 pentagonal bipyramids, corners with seven equivalent Br(1)O4 tetrahedra, and edges with two equivalent Ag(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. Br(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BrO4 tetrahedra that share corners with seven equivalent Ag(1)O7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_AgBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.670
_cell_length_b   5.844
_cell_length_c   9.208
_cell_angle_alpha   53.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.338
_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  0.533  0.914  0.335  1.0
  Ag  Ag1  1  0.033  0.086  0.165  1.0
  Ag  Ag2  1  0.967  0.914  0.835  1.0
  Ag  Ag3  1  0.467  0.086  0.665  1.0
  Br  Br4  1  0.686  0.404  0.840  1.0
  Br  Br5  1  0.186  0.596  0.660  1.0
  Br  Br6  1  0.814  0.404  0.340  1.0
  Br  Br7  1  0.314  0.596  0.160  1.0
  O  O8  1  0.776  0.728  0.283  1.0
  O  O9  1  0.622  0.436  0.657  1.0
  O  O10  1  0.849  0.211  0.905  1.0
  O  O11  1  0.055  0.756  0.498  1.0
  O  O12  1  0.555  0.244  0.002  1.0
  O  O13  1  0.349  0.789  0.595  1.0
  O  O14  1  0.122  0.564  0.843  1.0
  O  O15  1  0.724  0.728  0.783  1.0
  O  O16  1  0.276  0.272  0.217  1.0
  O  O17  1  0.878  0.436  0.157  1.0
  O  O18  1  0.651  0.211  0.405  1.0
  O  O19  1  0.445  0.756  0.998  1.0
  O  O20  1  0.945  0.244  0.502  1.0
  O  O21  1  0.151  0.789  0.095  1.0
  O  O22  1  0.378  0.564  0.343  1.0
  O  O23  1  0.224  0.272  0.717  1.0
[/CIF]
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The crystal structure described by AgO4Br crystallizes in the monoclinic P2_1/c space group. Ag(1) is bonded to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted AgO7 pentagonal bipyramids that share corners with two equivalent Ag(1)O7 pentagonal bipyramids, corners with seven equivalent Br(1)O4 tetrahedra, and edges with two equivalent Ag(1)O7 pentagonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ag(1) and one Br(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Ag(1) and one Br(1) atom. Br(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form BrO4 tetrahedra that share corners with seven equivalent Ag(1)O7 pentagonal bipyramids. is represented by the CIF card [CIF]
data_AgBrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.670
_cell_length_b   5.844
_cell_length_c   9.208
_cell_angle_alpha   53.555
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   375.338
_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  0.533  0.914  0.335  1.0
  Ag  Ag1  1  0.033  0.086  0.165  1.0
  Ag  Ag2  1  0.967  0.914  0.835  1.0
  Ag  Ag3  1  0.467  0.086  0.665  1.0
  Br  Br4  1  0.686  0.404  0.840  1.0
  Br  Br5  1  0.186  0.596  0.660  1.0
  Br  Br6  1  0.814  0.404  0.340  1.0
  Br  Br7  1  0.314  0.596  0.160  1.0
  O  O8  1  0.776  0.728  0.283  1.0
  O  O9  1  0.622  0.436  0.657  1.0
  O  O10  1  0.849  0.211  0.905  1.0
  O  O11  1  0.055  0.756  0.498  1.0
  O  O12  1  0.555  0.244  0.002  1.0
  O  O13  1  0.349  0.789  0.595  1.0
  O  O14  1  0.122  0.564  0.843  1.0
  O  O15  1  0.724  0.728  0.783  1.0
  O  O16  1  0.276  0.272  0.217  1.0
  O  O17  1  0.878  0.436  0.157  1.0
  O  O18  1  0.651  0.211  0.405  1.0
  O  O19  1  0.445  0.756  0.998  1.0
  O  O20  1  0.945  0.244  0.502  1.0
  O  O21  1  0.151  0.789  0.095  1.0
  O  O22  1  0.378  0.564  0.343  1.0
  O  O23  1  0.224  0.272  0.717  1.0
[/CIF]
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