The material structure described by K2OsNCl5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. Os(1) is bonded in a distorted octahedral geometry to one N(1), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. N(1) is bonded in a distorted single-bond geometry to one K(1) and one Os(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one K(1), one K(2), and one Os(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Os(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one K(2) and one Os(1) atom. is represented by the CIF file [CIF]
data_K2OsNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.241
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   122.310
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.872
_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  0.386  0.717  0.283  1.0
  K  K1  1  0.886  0.283  0.717  1.0
  K  K2  1  0.889  0.591  0.409  1.0
  K  K3  1  0.389  0.409  0.591  1.0
  Os  Os4  1  0.529  0.152  0.848  1.0
  Os  Os5  1  0.029  0.848  0.152  1.0
  N  N6  1  0.183  0.884  0.116  1.0
  N  N7  1  0.683  0.116  0.884  1.0
  Cl  Cl8  1  0.449  0.839  0.734  1.0
  Cl  Cl9  1  0.449  0.266  0.161  1.0
  Cl  Cl10  1  0.949  0.161  0.266  1.0
  Cl  Cl11  1  0.949  0.734  0.839  1.0
  Cl  Cl12  1  0.067  0.932  0.470  1.0
  Cl  Cl13  1  0.067  0.530  0.068  1.0
  Cl  Cl14  1  0.567  0.068  0.530  1.0
  Cl  Cl15  1  0.567  0.470  0.932  1.0
  Cl  Cl16  1  0.296  0.215  0.785  1.0
  Cl  Cl17  1  0.796  0.785  0.215  1.0
[/CIF]
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The material structure described by K2OsNCl5 crystallizes in the orthorhombic Cmc2_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 7-coordinate geometry to one N(1), two equivalent Cl(1), and four equivalent Cl(2) atoms. In the second K site, K(2) is bonded in a 5-coordinate geometry to one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. Os(1) is bonded in a distorted octahedral geometry to one N(1), one Cl(3), two equivalent Cl(1), and two equivalent Cl(2) atoms. N(1) is bonded in a distorted single-bond geometry to one K(1) and one Os(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a T-shaped geometry to one K(1), one K(2), and one Os(1) atom. In the second Cl site, Cl(2) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(1), and one Os(1) atom. In the third Cl site, Cl(3) is bonded in an L-shaped geometry to one K(2) and one Os(1) atom. is represented by the CIF file [CIF]
data_K2OsNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.241
_cell_length_b   8.332
_cell_length_c   8.332
_cell_angle_alpha   122.310
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   600.872
_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  0.386  0.717  0.283  1.0
  K  K1  1  0.886  0.283  0.717  1.0
  K  K2  1  0.889  0.591  0.409  1.0
  K  K3  1  0.389  0.409  0.591  1.0
  Os  Os4  1  0.529  0.152  0.848  1.0
  Os  Os5  1  0.029  0.848  0.152  1.0
  N  N6  1  0.183  0.884  0.116  1.0
  N  N7  1  0.683  0.116  0.884  1.0
  Cl  Cl8  1  0.449  0.839  0.734  1.0
  Cl  Cl9  1  0.449  0.266  0.161  1.0
  Cl  Cl10  1  0.949  0.161  0.266  1.0
  Cl  Cl11  1  0.949  0.734  0.839  1.0
  Cl  Cl12  1  0.067  0.932  0.470  1.0
  Cl  Cl13  1  0.067  0.530  0.068  1.0
  Cl  Cl14  1  0.567  0.068  0.530  1.0
  Cl  Cl15  1  0.567  0.470  0.932  1.0
  Cl  Cl16  1  0.296  0.215  0.785  1.0
  Cl  Cl17  1  0.796  0.785  0.215  1.0
[/CIF]
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