The material described by OsN5OBrCl2 is Fluorite structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid atoms and two OsN5OBr clusters. In each OsN5OBr cluster, Os(1) is bonded in a distorted octahedral geometry to one N(1), four equivalent N(2), and one Br(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Os(1) and one O(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Os(1) atom. O(1) is bonded in a single-bond geometry to one N(1) atom. Br(1) is bonded in a single-bond geometry to one Os(1) atom. is represented by the CIF card [CIF]
data_OsBrN5Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.285
_cell_length_c   6.285
_cell_angle_alpha   119.246
_cell_angle_beta   119.246
_cell_angle_gamma   91.312
_symmetry_Int_Tables_number   1
_cell_volume   177.506
_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
  Os  Os0  1  0.967  0.967  0.000  1.0
  Br  Br1  1  0.258  0.258  0.000  1.0
  N  N2  1  0.752  0.752  0.000  1.0
  N  N3  1  0.779  0.779  0.573  1.0
  N  N4  1  0.207  0.207  0.427  1.0
  N  N5  1  0.207  0.779  0.000  1.0
  N  N6  1  0.779  0.207  0.000  1.0
  Cl  Cl7  1  0.241  0.741  0.500  1.0
  Cl  Cl8  1  0.741  0.241  0.500  1.0
  O  O9  1  0.622  0.622  0.000  1.0
[/CIF]
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The material described by OsN5OBrCl2 is Fluorite structured and crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid atoms and two OsN5OBr clusters. In each OsN5OBr cluster, Os(1) is bonded in a distorted octahedral geometry to one N(1), four equivalent N(2), and one Br(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a linear geometry to one Os(1) and one O(1) atom. In the second N site, N(2) is bonded in a single-bond geometry to one Os(1) atom. O(1) is bonded in a single-bond geometry to one N(1) atom. Br(1) is bonded in a single-bond geometry to one Os(1) atom. is represented by the CIF card [CIF]
data_OsBrN5Cl2O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.285
_cell_length_b   6.285
_cell_length_c   6.285
_cell_angle_alpha   119.246
_cell_angle_beta   119.246
_cell_angle_gamma   91.312
_symmetry_Int_Tables_number   1
_cell_volume   177.506
_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
  Os  Os0  1  0.967  0.967  0.000  1.0
  Br  Br1  1  0.258  0.258  0.000  1.0
  N  N2  1  0.752  0.752  0.000  1.0
  N  N3  1  0.779  0.779  0.573  1.0
  N  N4  1  0.207  0.207  0.427  1.0
  N  N5  1  0.207  0.779  0.000  1.0
  N  N6  1  0.779  0.207  0.000  1.0
  Cl  Cl7  1  0.241  0.741  0.500  1.0
  Cl  Cl8  1  0.741  0.241  0.500  1.0
  O  O9  1  0.622  0.622  0.000  1.0
[/CIF]
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