The structure described by MgMo2(OBr)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing MgBr4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), two equivalent O(2), one Br(2), and one Br(4) atom. In the second Mo site, Mo(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), two equivalent O(1), one Br(1), and one Br(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Mo(1) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mo(2) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_MgMo2(BrO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   7.740
_cell_length_c   8.791
_cell_angle_alpha   102.646
_cell_angle_beta   102.344
_cell_angle_gamma   89.898
_symmetry_Int_Tables_number   1
_cell_volume   250.964
_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  0.740  0.109  0.526  1.0
  Mo  Mo1  1  0.011  0.474  0.015  1.0
  Mo  Mo2  1  0.989  0.967  0.985  1.0
  Br  Br3  1  0.836  0.866  0.674  1.0
  Br  Br4  1  0.860  0.412  0.680  1.0
  Br  Br5  1  0.146  0.044  0.325  1.0
  Br  Br6  1  0.153  0.543  0.313  1.0
  O  O7  1  0.493  0.969  0.994  1.0
  O  O8  1  0.504  0.472  0.009  1.0
  O  O9  1  0.996  0.713  0.998  1.0
  O  O10  1  0.993  0.225  0.991  1.0
[/CIF]
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The structure described by MgMo2(OBr)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one Br(1), one Br(2), and two equivalent Br(3) atoms to form corner-sharing MgBr4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), two equivalent O(2), one Br(2), and one Br(4) atom. In the second Mo site, Mo(2) is bonded in a distorted rectangular see-saw-like geometry to one O(3), one O(4), two equivalent O(1), one Br(1), and one Br(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a bent 120 degrees geometry to one Mg(1) and one Mo(2) atom. In the second Br site, Br(2) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Mo(1) atom. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Mo(2) atom. In the fourth Br site, Br(4) is bonded in a single-bond geometry to one Mo(1) atom. is represented by the CIF card [CIF]
data_MgMo2(BrO)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.874
_cell_length_b   7.740
_cell_length_c   8.791
_cell_angle_alpha   102.646
_cell_angle_beta   102.344
_cell_angle_gamma   89.898
_symmetry_Int_Tables_number   1
_cell_volume   250.964
_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  0.740  0.109  0.526  1.0
  Mo  Mo1  1  0.011  0.474  0.015  1.0
  Mo  Mo2  1  0.989  0.967  0.985  1.0
  Br  Br3  1  0.836  0.866  0.674  1.0
  Br  Br4  1  0.860  0.412  0.680  1.0
  Br  Br5  1  0.146  0.044  0.325  1.0
  Br  Br6  1  0.153  0.543  0.313  1.0
  O  O7  1  0.493  0.969  0.994  1.0
  O  O8  1  0.504  0.472  0.009  1.0
  O  O9  1  0.996  0.713  0.998  1.0
  O  O10  1  0.993  0.225  0.991  1.0
[/CIF]
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