The material structure described by K2RuNOBr5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and three equivalent Br(3) atoms. Ru(1) is bonded in a distorted octahedral geometry to one N(1), one Br(1), one Br(2), one Br(4), and two equivalent Br(3) atoms. 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 four inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. In the second Br site, Br(2) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to three equivalent K(1) and one Ru(1) atom. In the fourth Br site, Br(4) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. is represented by the CIF card [CIF]
data_K2RuBr5NO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   11.064
_cell_length_c   14.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1177.177
_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  0.847  0.500  0.645  1.0
  K  K1  1  0.653  0.500  0.145  1.0
  K  K2  1  0.347  1.000  0.855  1.0
  K  K3  1  0.653  0.000  0.145  1.0
  K  K4  1  0.153  1.000  0.355  1.0
  K  K5  1  0.153  0.500  0.355  1.0
  K  K6  1  0.347  0.500  0.855  1.0
  K  K7  1  0.847  0.000  0.645  1.0
  Ru  Ru8  1  0.679  0.750  0.391  1.0
  Ru  Ru9  1  0.179  0.250  0.109  1.0
  Ru  Ru10  1  0.321  0.250  0.609  1.0
  Ru  Ru11  1  0.821  0.750  0.891  1.0
  Br  Br12  1  0.414  0.750  0.276  1.0
  Br  Br13  1  0.386  0.250  0.250  1.0
  Br  Br14  1  0.189  0.019  0.114  1.0
  Br  Br15  1  0.689  0.519  0.386  1.0
  Br  Br16  1  0.458  0.250  0.004  1.0
  Br  Br17  1  0.042  0.250  0.504  1.0
  Br  Br18  1  0.811  0.981  0.886  1.0
  Br  Br19  1  0.086  0.750  0.776  1.0
  Br  Br20  1  0.311  0.019  0.614  1.0
  Br  Br21  1  0.189  0.481  0.114  1.0
  Br  Br22  1  0.114  0.250  0.750  1.0
  Br  Br23  1  0.689  0.981  0.386  1.0
  Br  Br24  1  0.811  0.519  0.886  1.0
  Br  Br25  1  0.886  0.750  0.250  1.0
  Br  Br26  1  0.958  0.750  0.496  1.0
  Br  Br27  1  0.542  0.750  0.996  1.0
  Br  Br28  1  0.586  0.250  0.724  1.0
  Br  Br29  1  0.614  0.750  0.750  1.0
  Br  Br30  1  0.914  0.250  0.224  1.0
  Br  Br31  1  0.311  0.481  0.614  1.0
  N  N32  1  0.974  0.750  0.983  1.0
  N  N33  1  0.474  0.250  0.517  1.0
  N  N34  1  0.526  0.750  0.483  1.0
  N  N35  1  0.026  0.250  0.017  1.0
  O  O36  1  0.413  0.750  0.540  1.0
  O  O37  1  0.087  0.750  0.040  1.0
  O  O38  1  0.587  0.250  0.460  1.0
  O  O39  1  0.913  0.250  0.960  1.0
[/CIF]
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The material structure described by K2RuNOBr5 crystallizes in the orthorhombic Pnma space group. K(1) is bonded in a 9-coordinate geometry to two equivalent Br(1), two equivalent Br(2), two equivalent Br(4), and three equivalent Br(3) atoms. Ru(1) is bonded in a distorted octahedral geometry to one N(1), one Br(1), one Br(2), one Br(4), and two equivalent Br(3) atoms. 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 four inequivalent Br sites. In the first Br site, Br(1) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. In the second Br site, Br(2) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. In the third Br site, Br(3) is bonded in a 3-coordinate geometry to three equivalent K(1) and one Ru(1) atom. In the fourth Br site, Br(4) is bonded to four equivalent K(1) and one Ru(1) atom to form a mixture of distorted corner, face, and edge-sharing BrK4Ru square pyramids. is represented by the CIF card [CIF]
data_K2RuBr5NO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.431
_cell_length_b   11.064
_cell_length_c   14.318
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1177.177
_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  0.847  0.500  0.645  1.0
  K  K1  1  0.653  0.500  0.145  1.0
  K  K2  1  0.347  1.000  0.855  1.0
  K  K3  1  0.653  0.000  0.145  1.0
  K  K4  1  0.153  1.000  0.355  1.0
  K  K5  1  0.153  0.500  0.355  1.0
  K  K6  1  0.347  0.500  0.855  1.0
  K  K7  1  0.847  0.000  0.645  1.0
  Ru  Ru8  1  0.679  0.750  0.391  1.0
  Ru  Ru9  1  0.179  0.250  0.109  1.0
  Ru  Ru10  1  0.321  0.250  0.609  1.0
  Ru  Ru11  1  0.821  0.750  0.891  1.0
  Br  Br12  1  0.414  0.750  0.276  1.0
  Br  Br13  1  0.386  0.250  0.250  1.0
  Br  Br14  1  0.189  0.019  0.114  1.0
  Br  Br15  1  0.689  0.519  0.386  1.0
  Br  Br16  1  0.458  0.250  0.004  1.0
  Br  Br17  1  0.042  0.250  0.504  1.0
  Br  Br18  1  0.811  0.981  0.886  1.0
  Br  Br19  1  0.086  0.750  0.776  1.0
  Br  Br20  1  0.311  0.019  0.614  1.0
  Br  Br21  1  0.189  0.481  0.114  1.0
  Br  Br22  1  0.114  0.250  0.750  1.0
  Br  Br23  1  0.689  0.981  0.386  1.0
  Br  Br24  1  0.811  0.519  0.886  1.0
  Br  Br25  1  0.886  0.750  0.250  1.0
  Br  Br26  1  0.958  0.750  0.496  1.0
  Br  Br27  1  0.542  0.750  0.996  1.0
  Br  Br28  1  0.586  0.250  0.724  1.0
  Br  Br29  1  0.614  0.750  0.750  1.0
  Br  Br30  1  0.914  0.250  0.224  1.0
  Br  Br31  1  0.311  0.481  0.614  1.0
  N  N32  1  0.974  0.750  0.983  1.0
  N  N33  1  0.474  0.250  0.517  1.0
  N  N34  1  0.526  0.750  0.483  1.0
  N  N35  1  0.026  0.250  0.017  1.0
  O  O36  1  0.413  0.750  0.540  1.0
  O  O37  1  0.087  0.750  0.040  1.0
  O  O38  1  0.587  0.250  0.460  1.0
  O  O39  1  0.913  0.250  0.960  1.0
[/CIF]
.