The material structure described by K2OsNCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(3) atoms. Os(1) is bonded in a distorted octahedral geometry to one N(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent Cl(3) atoms. N(1) is bonded in a single-bond geometry to one Os(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4Os square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of corner, face, and edge-sharing ClK4Os square pyramids. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Os(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4Os square pyramids. is represented by the CIF card [CIF]
data_K2OsNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.924
_cell_length_b   9.960
_cell_length_c   13.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   926.535
_cell_formula_units_Z   4
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  0.830  0.501  0.355  1.0
  K  K1  1  0.330  0.001  0.145  1.0
  K  K2  1  0.670  0.501  0.855  1.0
  K  K3  1  0.170  0.001  0.645  1.0
  K  K4  1  0.170  0.499  0.645  1.0
  K  K5  1  0.670  0.999  0.855  1.0
  K  K6  1  0.330  0.499  0.145  1.0
  K  K7  1  0.830  0.999  0.355  1.0
  Os  Os8  1  0.330  0.250  0.407  1.0
  Os  Os9  1  0.670  0.750  0.593  1.0
  Os  Os10  1  0.830  0.750  0.093  1.0
  Os  Os11  1  0.170  0.250  0.907  1.0
  N  N12  1  0.018  0.250  0.003  1.0
  N  N13  1  0.982  0.750  0.997  1.0
  N  N14  1  0.482  0.250  0.503  1.0
  N  N15  1  0.518  0.750  0.497  1.0
  Cl  Cl16  1  0.465  0.250  1.000  1.0
  Cl  Cl17  1  0.597  0.750  0.248  1.0
  Cl  Cl18  1  0.903  0.750  0.748  1.0
  Cl  Cl19  1  0.691  0.511  0.606  1.0
  Cl  Cl20  1  0.072  0.750  0.220  1.0
  Cl  Cl21  1  0.535  0.750  0.000  1.0
  Cl  Cl22  1  0.428  0.750  0.720  1.0
  Cl  Cl23  1  0.035  0.250  0.500  1.0
  Cl  Cl24  1  0.403  0.250  0.752  1.0
  Cl  Cl25  1  0.809  0.989  0.106  1.0
  Cl  Cl26  1  0.965  0.750  0.500  1.0
  Cl  Cl27  1  0.097  0.250  0.252  1.0
  Cl  Cl28  1  0.809  0.511  0.106  1.0
  Cl  Cl29  1  0.191  0.489  0.894  1.0
  Cl  Cl30  1  0.928  0.250  0.780  1.0
  Cl  Cl31  1  0.309  0.489  0.394  1.0
  Cl  Cl32  1  0.572  0.250  0.280  1.0
  Cl  Cl33  1  0.191  0.011  0.894  1.0
  Cl  Cl34  1  0.691  0.989  0.606  1.0
  Cl  Cl35  1  0.309  0.011  0.394  1.0
[/CIF]
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The material structure described by K2OsNCl5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 10-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(4), and four equivalent Cl(3) atoms. Os(1) is bonded in a distorted octahedral geometry to one N(1), one Cl(1), one Cl(2), one Cl(4), and two equivalent Cl(3) atoms. N(1) is bonded in a single-bond geometry to one Os(1) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4Os square pyramids. In the second Cl site, Cl(2) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of corner, face, and edge-sharing ClK4Os square pyramids. In the third Cl site, Cl(3) is bonded in a 5-coordinate geometry to four equivalent K(1) and one Os(1) atom. In the fourth Cl site, Cl(4) is bonded to four equivalent K(1) and one Os(1) atom to form a mixture of distorted corner, face, and edge-sharing ClK4Os square pyramids. is represented by the CIF card [CIF]
data_K2OsNCl5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.924
_cell_length_b   9.960
_cell_length_c   13.436
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   926.535
_cell_formula_units_Z   4
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  0.830  0.501  0.355  1.0
  K  K1  1  0.330  0.001  0.145  1.0
  K  K2  1  0.670  0.501  0.855  1.0
  K  K3  1  0.170  0.001  0.645  1.0
  K  K4  1  0.170  0.499  0.645  1.0
  K  K5  1  0.670  0.999  0.855  1.0
  K  K6  1  0.330  0.499  0.145  1.0
  K  K7  1  0.830  0.999  0.355  1.0
  Os  Os8  1  0.330  0.250  0.407  1.0
  Os  Os9  1  0.670  0.750  0.593  1.0
  Os  Os10  1  0.830  0.750  0.093  1.0
  Os  Os11  1  0.170  0.250  0.907  1.0
  N  N12  1  0.018  0.250  0.003  1.0
  N  N13  1  0.982  0.750  0.997  1.0
  N  N14  1  0.482  0.250  0.503  1.0
  N  N15  1  0.518  0.750  0.497  1.0
  Cl  Cl16  1  0.465  0.250  1.000  1.0
  Cl  Cl17  1  0.597  0.750  0.248  1.0
  Cl  Cl18  1  0.903  0.750  0.748  1.0
  Cl  Cl19  1  0.691  0.511  0.606  1.0
  Cl  Cl20  1  0.072  0.750  0.220  1.0
  Cl  Cl21  1  0.535  0.750  0.000  1.0
  Cl  Cl22  1  0.428  0.750  0.720  1.0
  Cl  Cl23  1  0.035  0.250  0.500  1.0
  Cl  Cl24  1  0.403  0.250  0.752  1.0
  Cl  Cl25  1  0.809  0.989  0.106  1.0
  Cl  Cl26  1  0.965  0.750  0.500  1.0
  Cl  Cl27  1  0.097  0.250  0.252  1.0
  Cl  Cl28  1  0.809  0.511  0.106  1.0
  Cl  Cl29  1  0.191  0.489  0.894  1.0
  Cl  Cl30  1  0.928  0.250  0.780  1.0
  Cl  Cl31  1  0.309  0.489  0.394  1.0
  Cl  Cl32  1  0.572  0.250  0.280  1.0
  Cl  Cl33  1  0.191  0.011  0.894  1.0
  Cl  Cl34  1  0.691  0.989  0.606  1.0
  Cl  Cl35  1  0.309  0.011  0.394  1.0
[/CIF]
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