The material structure described by MgAg2(O2Br)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and one Br(2) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(3), one Br(1), and four equivalent Br(2) atoms to form a mixture of distorted edge and corner-sharing AgBr5O octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ag site, Ag(2) is bonded to one O(2), one Br(2), and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing AgBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one O(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ag(2), and one O(4) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ag(1), and one O(1) atom to form distorted OMg2AgO tetrahedra that share corners with two equivalent Br(2)MgAg5 octahedra,  a cornercorner with one Br(1)Ag5 square pyramid, corners with two equivalent O(3)Mg2AgO tetrahedra, and edges with two equivalent Br(2)MgAg5 octahedra. The corner-sharing octahedral tilt angles are 92°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(1) and one O(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to one Ag(1) and four equivalent Ag(2) atoms to form BrAg5 square pyramids that share corners with four equivalent Br(1)Ag5 square pyramids,  a cornercorner with one O(3)Mg2AgO tetrahedra, edges with four equivalent Br(2)MgAg5 octahedra, and edges with four equivalent Br(1)Ag5 square pyramids. In the second Br site, Br(2) is bonded to one Mg(1), one Ag(2), and four equivalent Ag(1) atoms to form BrMgAg5 octahedra that share corners with four equivalent Br(2)MgAg5 octahedra, corners with two equivalent O(3)Mg2AgO tetrahedra, edges with four equivalent Br(2)MgAg5 octahedra, edges with four equivalent Br(1)Ag5 square pyramids, and edges with two equivalent O(3)Mg2AgO tetrahedra. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF file [CIF]
data_MgAg2(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.782
_cell_length_b   4.363
_cell_length_c   10.518
_cell_angle_alpha   80.554
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.197
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.750  0.909  0.407  1.0
  Ag  Ag1  1  0.250  0.219  0.119  1.0
  Ag  Ag2  1  0.750  0.861  0.860  1.0
  Br  Br3  1  0.250  0.362  0.854  1.0
  Br  Br4  1  0.750  0.708  0.146  1.0
  O  O5  1  0.250  0.753  0.417  1.0
  O  O6  1  0.750  0.958  0.612  1.0
  O  O7  1  0.250  0.085  0.354  1.0
  O  O8  1  0.750  0.240  0.548  1.0
[/CIF]
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The material structure described by MgAg2(O2Br)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 7-coordinate geometry to one O(2), one O(4), two equivalent O(1), two equivalent O(3), and one Br(2) atom. There are two inequivalent Ag sites. In the first Ag site, Ag(1) is bonded to one O(3), one Br(1), and four equivalent Br(2) atoms to form a mixture of distorted edge and corner-sharing AgBr5O octahedra. The corner-sharing octahedral tilt angles are 11°. In the second Ag site, Ag(2) is bonded to one O(2), one Br(2), and four equivalent Br(1) atoms to form a mixture of edge and corner-sharing AgBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one O(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Ag(2), and one O(4) atom. In the third O site, O(3) is bonded to two equivalent Mg(1), one Ag(1), and one O(1) atom to form distorted OMg2AgO tetrahedra that share corners with two equivalent Br(2)MgAg5 octahedra,  a cornercorner with one Br(1)Ag5 square pyramid, corners with two equivalent O(3)Mg2AgO tetrahedra, and edges with two equivalent Br(2)MgAg5 octahedra. The corner-sharing octahedral tilt angles are 92°. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Mg(1) and one O(2) atom. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded to one Ag(1) and four equivalent Ag(2) atoms to form BrAg5 square pyramids that share corners with four equivalent Br(1)Ag5 square pyramids,  a cornercorner with one O(3)Mg2AgO tetrahedra, edges with four equivalent Br(2)MgAg5 octahedra, and edges with four equivalent Br(1)Ag5 square pyramids. In the second Br site, Br(2) is bonded to one Mg(1), one Ag(2), and four equivalent Ag(1) atoms to form BrMgAg5 octahedra that share corners with four equivalent Br(2)MgAg5 octahedra, corners with two equivalent O(3)Mg2AgO tetrahedra, edges with four equivalent Br(2)MgAg5 octahedra, edges with four equivalent Br(1)Ag5 square pyramids, and edges with two equivalent O(3)Mg2AgO tetrahedra. The corner-sharing octahedral tilt angles are 11°. is represented by the CIF file [CIF]
data_MgAg2(BrO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.782
_cell_length_b   4.363
_cell_length_c   10.518
_cell_angle_alpha   80.554
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   171.197
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.750  0.909  0.407  1.0
  Ag  Ag1  1  0.250  0.219  0.119  1.0
  Ag  Ag2  1  0.750  0.861  0.860  1.0
  Br  Br3  1  0.250  0.362  0.854  1.0
  Br  Br4  1  0.750  0.708  0.146  1.0
  O  O5  1  0.250  0.753  0.417  1.0
  O  O6  1  0.750  0.958  0.612  1.0
  O  O7  1  0.250  0.085  0.354  1.0
  O  O8  1  0.750  0.240  0.548  1.0
[/CIF]
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