The material described by MgVOBr2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one Br(1), and four equivalent Br(2) atoms to form a mixture of distorted corner and edge-sharing MgBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. V(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one Br(2), and two equivalent Br(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent V(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgVBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.234
_cell_length_b   3.826
_cell_length_c   7.733
_cell_angle_alpha   104.429
_cell_angle_beta   112.001
_cell_angle_gamma   89.956
_symmetry_Int_Tables_number   1
_cell_volume   111.862
_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  0.169  0.670  0.333  1.0
  V  V1  1  0.004  0.984  0.967  1.0
  Br  Br2  1  0.365  0.849  0.702  1.0
  Br  Br3  1  0.646  0.164  0.325  1.0
  O  O4  1  0.011  0.529  0.056  1.0
[/CIF]
.
The material described by MgVOBr2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one Br(1), and four equivalent Br(2) atoms to form a mixture of distorted corner and edge-sharing MgBr5O octahedra. The corner-sharing octahedral tilt angles are 3°. V(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one Br(2), and two equivalent Br(1) atoms. O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1) and two equivalent V(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent V(1) atoms. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one V(1) atom. is represented by the CIF file [CIF]
data_MgVBr2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.234
_cell_length_b   3.826
_cell_length_c   7.733
_cell_angle_alpha   104.429
_cell_angle_beta   112.001
_cell_angle_gamma   89.956
_symmetry_Int_Tables_number   1
_cell_volume   111.862
_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  0.169  0.670  0.333  1.0
  V  V1  1  0.004  0.984  0.967  1.0
  Br  Br2  1  0.365  0.849  0.702  1.0
  Br  Br3  1  0.646  0.164  0.325  1.0
  O  O4  1  0.011  0.529  0.056  1.0
[/CIF]
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