data_K3P5RuSe10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.36
_cell_length_b   7.39
_cell_length_c   12.67
_cell_angle_alpha   90.0
_cell_angle_beta   93.19
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K3P5RuSe10
_chemical_formula_sum   'K6 P10 Ru2 Se20'
_cell_volume   1062.6
_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  0.22  0.85  0.9  1.0
  K  K1  1  0.11  0.54  0.89  1.0
  K  K2  1  0.88  0.54  0.97  1.0
  K  K3  1  0.77  0.85  0.68  1.0
  K  K4  1  0.55  0.85  0.76  1.0
  K  K5  1  0.43  0.54  0.75  1.0
  P  P6  1  0.18  0.54  0.73  1.0
  P  P7  1  0.35  0.15  0.06  1.0
  P  P8  1  0.35  0.55  0.06  1.0
  P  P9  1  0.35  0.85  0.46  1.0
  P  P10  1  0.86  0.85  0.16  1.0
  P  P11  1  0.8  0.54  0.49  1.0
  P  P12  1  0.31  0.54  0.19  1.0
  P  P13  1  0.3  0.84  0.59  1.0
  P  P14  1  0.3  0.24  0.59  1.0
  P  P15  1  0.48  0.85  0.92  1.0
  Ru  Ru16  1  0.89  0.85  0.46  1.0
  Ru  Ru17  1  0.77  0.54  0.19  1.0
  Se  Se18  1  0.23  0.54  0.5  1.0
  Se  Se19  1  0.22  0.54  0.54  1.0
  Se  Se20  1  0.39  0.76  0.05  1.0
  Se  Se21  1  0.39  0.33  0.05  1.0
  Se  Se22  1  1.0  0.17  0.13  1.0
  Se  Se23  1  1.0  0.53  0.13  1.0
  Se  Se24  1  0.77  0.85  0.94  1.0
  Se  Se25  1  0.7  0.85  0.24  1.0
  Se  Se26  1  0.59  0.02  0.3  1.0
  Se  Se27  1  0.59  0.68  0.3  1.0
  Se  Se28  1  0.07  0.71  0.35  1.0
  Se  Se29  1  0.07  0.37  0.35  1.0
  Se  Se30  1  0.95  0.54  0.42  1.0
  Se  Se31  1  0.89  0.54  0.71  1.0
  Se  Se32  1  0.66  0.86  0.52  1.0
  Se  Se33  1  0.66  0.22  0.52  1.0
  Se  Se34  1  0.27  0.06  0.61  1.0
  Se  Se35  1  0.27  0.63  0.61  1.0
  Se  Se36  1  0.44  0.85  0.11  1.0
  Se  Se37  1  0.43  0.85  0.15  1.0

data_K3P5RuSe10
_symmetry_space_group_name_H-M   P-1
_cell_length_a   7.39
_cell_length_b   11.36
_cell_length_c   12.67
_cell_angle_alpha   93.19
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   K3P5RuSe10
_chemical_formula_sum   'K6 P10 Ru2 Se20'
_cell_volume   1062.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  2  0.15  0.4  0.07  1.0
  K  K1  2  0.15  0.72  0.93  1.0
  K  K2  2  0.15  0.94  0.86  1.0
  P  P3  2  0.15  0.47  0.76  1.0
  P  P4  2  0.15  0.03  0.34  1.0
  P  P5  2  0.15  0.52  0.64  1.0
  P  P6  2  0.15  0.65  0.1  1.0
  P  P7  2  0.45  0.53  0.24  1.0
  Ru  Ru8  2  0.15  0.06  0.63  1.0
  Se  Se9  2  0.02  0.24  0.52  1.0
  Se  Se10  2  0.06  0.56  0.22  1.0
  Se  Se11  2  0.15  0.87  0.41  1.0
  Se  Se12  2  0.15  0.94  0.12  1.0
  Se  Se13  2  0.15  0.6  0.32  1.0
  Se  Se14  2  0.15  0.61  0.29  1.0
  Se  Se15  2  0.17  0.83  0.69  1.0
  Se  Se16  2  0.32  0.76  0.48  1.0
  Se  Se17  2  0.37  0.44  0.78  1.0
  Se  Se18  2  0.47  0.17  0.31  1.0

K K K K K K P P P P P P P P P P Ru Ru Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se
K K K K K K P P P P P P P P P P Ru Ru Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se Se 0 6 o o o 0 1 o o o 0 20 o o + 0 15 o o o 1 2 - o o 1 6 o o o 2 24 o o o 2 23 o o + 2 31 o o o 3 32 o o o 3 4 o o o 3 31 o o o 3 24 o o o 4 5 o o o 4 15 o o o 5 35 o o o 5 6 o o o 5 15 o o o 6 35 o o o 6 19 o o o 6 31 - o o 7 21 o o o 8 12 o o o 8 21 o o o 8 20 o o o 9 13 o o o 10 25 o o o 10 17 o o o 10 22 o + o 10 23 o o o 10 24 o o - 11 30 o o o 11 16 o o o 11 31 o o o 11 32 o o o 11 33 o o o 13 35 o o o 13 34 o + o 14 34 o o o 15 20 o o + 15 36 o o + 15 24 o o o 16 32 o o o 16 28 + o o 16 30 o o o 17 27 o o o 17 25 o o o 17 23 o o o 18 19 o o o 19 35 o o o 20 36 o o o 22 29 + o o 22 23 o o o 23 29 + o o 25 27 o o o 25 26 o + o 26 27 o - o 26 32 o - o 26 33 o o o 28 30 - o o 28 29 o o o 29 30 - o o 32 33 o + o 36 37 o o o 
K3RuP5Se10 crystallizes in the triclinic P-1 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 5-coordinate geometry to one K(2), one P(2), two equivalent P(1), and one Se(3) atom. The K(1)-K(2) bond length is 2.61 Å. The K(1)-P(2) bond length is 3.32 Å. There is one shorter (2.89 Å) and one longer (3.13 Å) K(1)-P(1) bond length. The K(1)-Se(3) bond length is 2.63 Å. In the second K site, K(2) is bonded in a distorted single-bond geometry to one K(1), one P(1), and one Se(7) atom. The K(2)-P(1) bond length is 2.28 Å. The K(2)-Se(7) bond length is 3.35 Å. In the third K site, K(3) is bonded in a 2-coordinate geometry to one Ru(1), one Se(5), one Se(6), and two equivalent Se(7) atoms. The K(3)-Ru(1) bond length is 3.24 Å. The K(3)-Se(5) bond length is 3.64 Å. The K(3)-Se(6) bond length is 2.37 Å. There is one shorter (2.61 Å) and one longer (3.30 Å) K(3)-Se(7) bond length. Ru(1) is bonded in a 5-coordinate geometry to one K(3), one P(5), one Se(10), one Se(6), and one Se(8) atom. The Ru(1)-P(5) bond length is 2.54 Å. The Ru(1)-Se(10) bond length is 2.72 Å. The Ru(1)-Se(6) bond length is 2.76 Å. The Ru(1)-Se(8) bond length is 2.43 Å. There are five inequivalent P sites. In the first P site, P(1) is bonded in a 2-coordinate geometry to one K(2), two equivalent K(1), and one Se(3) atom. The P(1)-Se(3) bond length is 2.05 Å. In the second P site, P(2) is bonded in a distorted single-bond geometry to one K(1) and one Se(4) atom. The P(2)-Se(4) bond length is 1.38 Å. In the third P site, P(3) is bonded in a 2-coordinate geometry to one P(4), one Se(3), and one Se(4) atom. The P(3)-P(4) bond length is 1.72 Å. The P(3)-Se(3) bond length is 1.62 Å. The P(3)-Se(4) bond length is 1.68 Å. In the fourth P site, P(4) is bonded in a 1-coordinate geometry to one P(3) atom. In the fifth P site, P(5) is bonded in a 1-coordinate geometry to one Ru(1), one Se(5), one Se(7), and one Se(8) atom. The P(5)-Se(5) bond length is 2.86 Å. The P(5)-Se(7) bond length is 2.89 Å. The P(5)-Se(8) bond length is 2.06 Å. There are ten inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one Se(10), one Se(2), and one Se(9) atom. The Se(1)-Se(10) bond length is 2.85 Å. The Se(1)-Se(2) bond length is 0.44 Å. The Se(1)-Se(9) bond length is 2.85 Å. In the second Se site, Se(2) is bonded in a 2-coordinate geometry to one Se(1) and one Se(3) atom. The Se(2)-Se(3) bond length is 1.19 Å. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one K(1), one P(1), one P(3), and one Se(2) atom. In the fourth Se site, Se(4) is bonded in a bent 150 degrees geometry to one P(2) and one P(3) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one K(3), one P(5), and one Se(6) atom. The Se(5)-Se(6) bond length is 2.64 Å. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one K(3), one Ru(1), one Se(5), and one Se(9) atom. The Se(6)-Se(9) bond length is 3.05 Å. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent K(3), and one P(5) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Ru(1), one P(5), one Se(10), and one Se(9) atom. The Se(8)-Se(10) bond length is 2.06 Å. The Se(8)-Se(9) bond length is 2.06 Å. In the ninth Se site, Se(9) is bonded in a 4-coordinate geometry to one Se(1), one Se(10), one Se(6), and one Se(8) atom. The Se(9)-Se(10) bond length is 2.52 Å. In the tenth Se site, Se(10) is bonded in a 4-coordinate geometry to one Ru(1), one Se(1), one Se(8), and one Se(9) atom.