The material described by KOsNO2Br4 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), two equivalent O(2), two equivalent Br(1), and four equivalent Br(2) atoms. Os(1) is bonded in a 6-coordinate geometry to one N(1), one O(1), two equivalent Br(1), and two equivalent Br(2) atoms. N(1) is bonded in a distorted single-bond geometry to one K(1) and one Os(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one Os(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent K(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted water-like geometry to one K(1) and one Os(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Os(1) atom. is represented by the CIF file [CIF]
data_KOsBr4NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   8.249
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   71.627
_symmetry_Int_Tables_number   1
_cell_volume   480.199
_cell_formula_units_Z   2
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
  K  K0  1  0.345  0.345  0.475  1.0
  K  K1  1  0.655  0.655  0.975  1.0
  Os  Os2  1  0.842  0.842  0.507  1.0
  Os  Os3  1  0.158  0.158  0.007  1.0
  Br  Br4  1  0.153  0.785  0.536  1.0
  Br  Br5  1  0.785  0.153  0.536  1.0
  Br  Br6  1  0.847  0.215  0.036  1.0
  Br  Br7  1  0.215  0.847  0.036  1.0
  Br  Br8  1  0.889  0.529  0.576  1.0
  Br  Br9  1  0.529  0.889  0.576  1.0
  Br  Br10  1  0.111  0.471  0.076  1.0
  Br  Br11  1  0.471  0.111  0.076  1.0
  N  N12  1  0.820  0.820  0.284  1.0
  N  N13  1  0.180  0.180  0.784  1.0
  O  O14  1  0.835  0.835  0.783  1.0
  O  O15  1  0.165  0.165  0.283  1.0
  O  O16  1  0.460  0.460  0.801  1.0
  O  O17  1  0.540  0.540  0.301  1.0
[/CIF]
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The material described by KOsNO2Br4 crystallizes in the orthorhombic Cmc2_1 space group. K(1) is bonded in a 10-coordinate geometry to one N(1), one O(1), two equivalent O(2), two equivalent Br(1), and four equivalent Br(2) atoms. Os(1) is bonded in a 6-coordinate geometry to one N(1), one O(1), two equivalent Br(1), and two equivalent Br(2) atoms. N(1) is bonded in a distorted single-bond geometry to one K(1) and one Os(1) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one K(1) and one Os(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent K(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted water-like geometry to one K(1) and one Os(1) atom. In the second Br site, Br(2) is bonded in a 3-coordinate geometry to two equivalent K(1) and one Os(1) atom. is represented by the CIF file [CIF]
data_KOsBr4NO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.249
_cell_length_b   8.249
_cell_length_c   7.435
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   71.627
_symmetry_Int_Tables_number   1
_cell_volume   480.199
_cell_formula_units_Z   2
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
  K  K0  1  0.345  0.345  0.475  1.0
  K  K1  1  0.655  0.655  0.975  1.0
  Os  Os2  1  0.842  0.842  0.507  1.0
  Os  Os3  1  0.158  0.158  0.007  1.0
  Br  Br4  1  0.153  0.785  0.536  1.0
  Br  Br5  1  0.785  0.153  0.536  1.0
  Br  Br6  1  0.847  0.215  0.036  1.0
  Br  Br7  1  0.215  0.847  0.036  1.0
  Br  Br8  1  0.889  0.529  0.576  1.0
  Br  Br9  1  0.529  0.889  0.576  1.0
  Br  Br10  1  0.111  0.471  0.076  1.0
  Br  Br11  1  0.471  0.111  0.076  1.0
  N  N12  1  0.820  0.820  0.284  1.0
  N  N13  1  0.180  0.180  0.784  1.0
  O  O14  1  0.835  0.835  0.783  1.0
  O  O15  1  0.165  0.165  0.283  1.0
  O  O16  1  0.460  0.460  0.801  1.0
  O  O17  1  0.540  0.540  0.301  1.0
[/CIF]
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