The material structure described by K2RuNOCl5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one Cl(2), two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(5), and three equivalent Cl(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. Ru(1) is bonded in an octahedral geometry to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. N(1) is bonded in a linear geometry to one Ru(1) and one O(1) atom. O(1) is bonded in a single-bond geometry to one N(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Ru(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and one Ru(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Ru(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Ru square pyramids. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to three equivalent K(1) and one Ru(1) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent K(1), two equivalent K(2), and one Ru(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Ru square pyramids. is represented by the CIF file [CIF]
data_K2RuNCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   10.585
_cell_length_c   13.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1019.266
_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  0.645  0.250  0.104  1.0
  K  K1  1  0.855  0.750  0.604  1.0
  K  K2  1  0.646  0.750  0.103  1.0
  K  K3  1  0.145  0.250  0.896  1.0
  K  K4  1  0.354  0.250  0.397  1.0
  K  K5  1  0.854  0.250  0.603  1.0
  K  K6  1  0.355  0.750  0.396  1.0
  K  K7  1  0.146  0.750  0.897  1.0
  Ru  Ru8  1  0.329  0.998  0.642  1.0
  Ru  Ru9  1  0.671  0.498  0.858  1.0
  Ru  Ru10  1  0.829  0.502  0.358  1.0
  Ru  Ru11  1  0.171  0.002  0.142  1.0
  N  N12  1  0.989  0.503  0.261  1.0
  N  N13  1  0.511  0.497  0.761  1.0
  N  N14  1  0.011  0.003  0.239  1.0
  N  N15  1  0.489  0.997  0.739  1.0
  Cl  Cl16  1  0.910  0.001  0.028  1.0
  Cl  Cl17  1  0.316  0.225  0.637  1.0
  Cl  Cl18  1  0.377  0.001  0.003  1.0
  Cl  Cl19  1  0.318  0.772  0.635  1.0
  Cl  Cl20  1  0.682  0.272  0.865  1.0
  Cl  Cl21  1  0.590  0.999  0.528  1.0
  Cl  Cl22  1  0.623  0.501  0.497  1.0
  Cl  Cl23  1  0.816  0.275  0.363  1.0
  Cl  Cl24  1  0.551  0.502  0.255  1.0
  Cl  Cl25  1  0.877  0.499  0.997  1.0
  Cl  Cl26  1  0.410  0.499  0.972  1.0
  Cl  Cl27  1  0.182  0.228  0.135  1.0
  Cl  Cl28  1  0.449  0.002  0.245  1.0
  Cl  Cl29  1  0.090  0.501  0.472  1.0
  Cl  Cl30  1  0.684  0.725  0.863  1.0
  Cl  Cl31  1  0.184  0.775  0.137  1.0
  Cl  Cl32  1  0.949  0.498  0.755  1.0
  Cl  Cl33  1  0.051  0.998  0.745  1.0
  Cl  Cl34  1  0.123  0.999  0.503  1.0
  Cl  Cl35  1  0.818  0.728  0.365  1.0
  O  O36  1  0.895  0.004  0.300  1.0
  O  O37  1  0.605  0.996  0.800  1.0
  O  O38  1  0.105  0.504  0.200  1.0
  O  O39  1  0.395  0.496  0.700  1.0
[/CIF]
.
The material structure described by K2RuNOCl5 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one Cl(2), two equivalent Cl(1), two equivalent Cl(3), two equivalent Cl(5), and three equivalent Cl(4) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent Cl(1), two equivalent Cl(2), two equivalent Cl(3), and two equivalent Cl(5) atoms. Ru(1) is bonded in an octahedral geometry to one N(1), one Cl(1), one Cl(2), one Cl(3), one Cl(4), and one Cl(5) atom. N(1) is bonded in a linear geometry to one Ru(1) and one O(1) atom. O(1) is bonded in a single-bond geometry to one N(1) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(2), and one Ru(1) atom. In the second Cl site, Cl(2) is bonded in a 3-coordinate geometry to one K(1), two equivalent K(2), and one Ru(1) atom. In the third Cl site, Cl(3) is bonded to two equivalent K(1), two equivalent K(2), and one Ru(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Ru square pyramids. In the fourth Cl site, Cl(4) is bonded in a 3-coordinate geometry to three equivalent K(1) and one Ru(1) atom. In the fifth Cl site, Cl(5) is bonded to two equivalent K(1), two equivalent K(2), and one Ru(1) atom to form a mixture of distorted face, corner, and edge-sharing ClK4Ru square pyramids. is represented by the CIF file [CIF]
data_K2RuNCl5O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.059
_cell_length_b   10.585
_cell_length_c   13.641
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1019.266
_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  0.645  0.250  0.104  1.0
  K  K1  1  0.855  0.750  0.604  1.0
  K  K2  1  0.646  0.750  0.103  1.0
  K  K3  1  0.145  0.250  0.896  1.0
  K  K4  1  0.354  0.250  0.397  1.0
  K  K5  1  0.854  0.250  0.603  1.0
  K  K6  1  0.355  0.750  0.396  1.0
  K  K7  1  0.146  0.750  0.897  1.0
  Ru  Ru8  1  0.329  0.998  0.642  1.0
  Ru  Ru9  1  0.671  0.498  0.858  1.0
  Ru  Ru10  1  0.829  0.502  0.358  1.0
  Ru  Ru11  1  0.171  0.002  0.142  1.0
  N  N12  1  0.989  0.503  0.261  1.0
  N  N13  1  0.511  0.497  0.761  1.0
  N  N14  1  0.011  0.003  0.239  1.0
  N  N15  1  0.489  0.997  0.739  1.0
  Cl  Cl16  1  0.910  0.001  0.028  1.0
  Cl  Cl17  1  0.316  0.225  0.637  1.0
  Cl  Cl18  1  0.377  0.001  0.003  1.0
  Cl  Cl19  1  0.318  0.772  0.635  1.0
  Cl  Cl20  1  0.682  0.272  0.865  1.0
  Cl  Cl21  1  0.590  0.999  0.528  1.0
  Cl  Cl22  1  0.623  0.501  0.497  1.0
  Cl  Cl23  1  0.816  0.275  0.363  1.0
  Cl  Cl24  1  0.551  0.502  0.255  1.0
  Cl  Cl25  1  0.877  0.499  0.997  1.0
  Cl  Cl26  1  0.410  0.499  0.972  1.0
  Cl  Cl27  1  0.182  0.228  0.135  1.0
  Cl  Cl28  1  0.449  0.002  0.245  1.0
  Cl  Cl29  1  0.090  0.501  0.472  1.0
  Cl  Cl30  1  0.684  0.725  0.863  1.0
  Cl  Cl31  1  0.184  0.775  0.137  1.0
  Cl  Cl32  1  0.949  0.498  0.755  1.0
  Cl  Cl33  1  0.051  0.998  0.745  1.0
  Cl  Cl34  1  0.123  0.999  0.503  1.0
  Cl  Cl35  1  0.818  0.728  0.365  1.0
  O  O36  1  0.895  0.004  0.300  1.0
  O  O37  1  0.605  0.996  0.800  1.0
  O  O38  1  0.105  0.504  0.200  1.0
  O  O39  1  0.395  0.496  0.700  1.0
[/CIF]
.