The material structure described by K3RuP5Se10 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(1), three equivalent Se(2), and four equivalent Se(4) atoms. In the second K site, K(2) is bonded in a 12-coordinate geometry to one P(3), one Se(2), one Se(3), two equivalent Se(6), three equivalent Se(1), and four equivalent Se(5) atoms. In the third K site, K(3) is bonded in a 3-coordinate geometry to one Se(3) and four equivalent Se(4) atoms. Ru(1) is bonded to one P(4), two equivalent P(2), one Se(7), and two equivalent Se(5) atoms to form RuP3Se3 octahedra that share corners with two equivalent P(2)PRuSe2 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Se(7) and two equivalent Se(4) atoms. In the second P site, P(2) is bonded to one Ru(1), one P(2), one Se(3), and one Se(6) atom to form distorted PPRuSe2 tetrahedra that share  a cornercorner with one Ru(1)P3Se3 octahedra and corners with two equivalent P(2)PRuSe2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the third P site, P(3) is bonded in a 3-coordinate geometry to one K(2), one Se(2), and two equivalent Se(5) atoms. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Ru(1), one Se(1), and two equivalent Se(6) atoms. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one P(4) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(1), and one P(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one K(2), one K(3), and two equivalent P(2) atoms. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(3), and one P(1) atom. In the fifth Se site, Se(5) is bonded in a 2-coordinate geometry to two equivalent K(2), one Ru(1), and one P(3) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one K(2), one P(2), and one P(4) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Ru(1) and one P(1) atom. is represented by the CIF card [CIF]
data_K3P5RuSe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   11.377
_cell_length_c   12.684
_cell_angle_alpha   86.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.883
_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  0.250  0.987  0.608  1.0
  K  K1  1  0.750  0.013  0.392  1.0
  K  K2  1  0.250  0.098  0.069  1.0
  K  K3  1  0.250  0.473  0.612  1.0
  K  K4  1  0.750  0.902  0.931  1.0
  K  K5  1  0.750  0.527  0.388  1.0
  P  P6  1  0.750  0.276  0.591  1.0
  P  P7  1  0.520  0.476  0.916  1.0
  P  P8  1  0.480  0.524  0.084  1.0
  P  P9  1  0.250  0.864  0.274  1.0
  P  P10  1  0.250  0.724  0.409  1.0
  P  P11  1  0.750  0.136  0.726  1.0
  P  P12  1  0.250  0.723  0.942  1.0
  P  P13  1  0.980  0.476  0.916  1.0
  P  P14  1  0.020  0.524  0.084  1.0
  P  P15  1  0.750  0.277  0.058  1.0
  Ru  Ru16  1  0.250  0.650  0.115  1.0
  Ru  Ru17  1  0.750  0.350  0.885  1.0
  Se  Se18  1  0.250  0.906  0.881  1.0
  Se  Se19  1  0.750  0.962  0.667  1.0
  Se  Se20  1  0.250  0.379  0.879  1.0
  Se  Se21  1  0.995  0.258  0.500  1.0
  Se  Se22  1  0.476  0.813  0.169  1.0
  Se  Se23  1  0.490  0.659  0.838  1.0
  Se  Se24  1  0.010  0.659  0.838  1.0
  Se  Se25  1  0.505  0.258  0.500  1.0
  Se  Se26  1  0.250  0.038  0.333  1.0
  Se  Se27  1  0.510  0.341  0.162  1.0
  Se  Se28  1  0.750  0.621  0.121  1.0
  Se  Se29  1  0.524  0.187  0.831  1.0
  Se  Se30  1  0.250  0.562  0.312  1.0
  Se  Se31  1  0.976  0.187  0.831  1.0
  Se  Se32  1  0.495  0.742  0.500  1.0
  Se  Se33  1  0.990  0.341  0.162  1.0
  Se  Se34  1  0.750  0.094  0.119  1.0
  Se  Se35  1  0.024  0.813  0.169  1.0
  Se  Se36  1  0.005  0.742  0.500  1.0
  Se  Se37  1  0.750  0.438  0.688  1.0
[/CIF]
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The material structure described by K3RuP5Se10 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one Se(1), three equivalent Se(2), and four equivalent Se(4) atoms. In the second K site, K(2) is bonded in a 12-coordinate geometry to one P(3), one Se(2), one Se(3), two equivalent Se(6), three equivalent Se(1), and four equivalent Se(5) atoms. In the third K site, K(3) is bonded in a 3-coordinate geometry to one Se(3) and four equivalent Se(4) atoms. Ru(1) is bonded to one P(4), two equivalent P(2), one Se(7), and two equivalent Se(5) atoms to form RuP3Se3 octahedra that share corners with two equivalent P(2)PRuSe2 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded in a 3-coordinate geometry to one Se(7) and two equivalent Se(4) atoms. In the second P site, P(2) is bonded to one Ru(1), one P(2), one Se(3), and one Se(6) atom to form distorted PPRuSe2 tetrahedra that share  a cornercorner with one Ru(1)P3Se3 octahedra and corners with two equivalent P(2)PRuSe2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. In the third P site, P(3) is bonded in a 3-coordinate geometry to one K(2), one Se(2), and two equivalent Se(5) atoms. In the fourth P site, P(4) is bonded in a 4-coordinate geometry to one Ru(1), one Se(1), and two equivalent Se(6) atoms. There are seven inequivalent Se sites. In the first Se site, Se(1) is bonded in a 5-coordinate geometry to one K(1), three equivalent K(2), and one P(4) atom. In the second Se site, Se(2) is bonded in a 5-coordinate geometry to one K(2), three equivalent K(1), and one P(3) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one K(2), one K(3), and two equivalent P(2) atoms. In the fourth Se site, Se(4) is bonded in a 5-coordinate geometry to two equivalent K(1), two equivalent K(3), and one P(1) atom. In the fifth Se site, Se(5) is bonded in a 2-coordinate geometry to two equivalent K(2), one Ru(1), and one P(3) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one K(2), one P(2), and one P(4) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Ru(1) and one P(1) atom. is represented by the CIF card [CIF]
data_K3P5RuSe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.425
_cell_length_b   11.377
_cell_length_c   12.684
_cell_angle_alpha   86.916
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1069.883
_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  0.250  0.987  0.608  1.0
  K  K1  1  0.750  0.013  0.392  1.0
  K  K2  1  0.250  0.098  0.069  1.0
  K  K3  1  0.250  0.473  0.612  1.0
  K  K4  1  0.750  0.902  0.931  1.0
  K  K5  1  0.750  0.527  0.388  1.0
  P  P6  1  0.750  0.276  0.591  1.0
  P  P7  1  0.520  0.476  0.916  1.0
  P  P8  1  0.480  0.524  0.084  1.0
  P  P9  1  0.250  0.864  0.274  1.0
  P  P10  1  0.250  0.724  0.409  1.0
  P  P11  1  0.750  0.136  0.726  1.0
  P  P12  1  0.250  0.723  0.942  1.0
  P  P13  1  0.980  0.476  0.916  1.0
  P  P14  1  0.020  0.524  0.084  1.0
  P  P15  1  0.750  0.277  0.058  1.0
  Ru  Ru16  1  0.250  0.650  0.115  1.0
  Ru  Ru17  1  0.750  0.350  0.885  1.0
  Se  Se18  1  0.250  0.906  0.881  1.0
  Se  Se19  1  0.750  0.962  0.667  1.0
  Se  Se20  1  0.250  0.379  0.879  1.0
  Se  Se21  1  0.995  0.258  0.500  1.0
  Se  Se22  1  0.476  0.813  0.169  1.0
  Se  Se23  1  0.490  0.659  0.838  1.0
  Se  Se24  1  0.010  0.659  0.838  1.0
  Se  Se25  1  0.505  0.258  0.500  1.0
  Se  Se26  1  0.250  0.038  0.333  1.0
  Se  Se27  1  0.510  0.341  0.162  1.0
  Se  Se28  1  0.750  0.621  0.121  1.0
  Se  Se29  1  0.524  0.187  0.831  1.0
  Se  Se30  1  0.250  0.562  0.312  1.0
  Se  Se31  1  0.976  0.187  0.831  1.0
  Se  Se32  1  0.495  0.742  0.500  1.0
  Se  Se33  1  0.990  0.341  0.162  1.0
  Se  Se34  1  0.750  0.094  0.119  1.0
  Se  Se35  1  0.024  0.813  0.169  1.0
  Se  Se36  1  0.005  0.742  0.500  1.0
  Se  Se37  1  0.750  0.438  0.688  1.0
[/CIF]
.