data_PRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85
_cell_length_b   6.64
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRu
_chemical_formula_sum   'P12 Ru12'
_cell_volume   358.87
_cell_formula_units_Z   12
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
  P  P0  1  0.67  0.43  0.16  1.0
  P  P1  1  0.18  0.22  0.72  1.0
  P  P2  1  0.18  0.11  0.16  1.0
  P  P3  1  0.67  0.54  0.72  1.0
  P  P4  1  0.43  0.89  0.16  1.0
  P  P5  1  0.42  0.76  0.72  1.0
  P  P6  1  0.42  0.21  0.16  1.0
  P  P7  1  0.43  0.43  0.72  1.0
  P  P8  1  0.49  0.66  0.0  1.0
  P  P9  1  0.36  0.98  0.44  1.0
  P  P10  1  0.36  0.98  0.0  1.0
  P  P11  1  0.49  0.66  0.44  1.0
  Ru  Ru12  1  0.72  0.13  0.16  1.0
  Ru  Ru13  1  0.13  0.52  0.72  1.0
  Ru  Ru14  1  0.13  0.45  0.16  1.0
  Ru  Ru15  1  0.72  0.19  0.72  1.0
  Ru  Ru16  1  0.27  0.72  0.16  1.0
  Ru  Ru17  1  0.59  0.93  0.72  1.0
  Ru  Ru18  1  0.59  0.04  0.16  1.0
  Ru  Ru19  1  0.27  0.61  0.72  1.0
  Ru  Ru20  1  0.88  0.66  0.0  1.0
  Ru  Ru21  1  0.98  0.98  0.44  1.0
  Ru  Ru22  1  0.98  0.98  0.0  1.0
  Ru  Ru23  1  0.88  0.66  0.44  1.0

data_PRu
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.64
_cell_length_b   6.88
_cell_length_c   7.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PRu
_chemical_formula_sum   'P12 Ru12'
_cell_volume   358.87
_cell_formula_units_Z   12
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
  P  P0  1  0.11  0.16  0.18  1.0
  P  P1  1  0.21  0.16  0.42  1.0
  P  P2  1  0.22  0.72  0.18  1.0
  P  P3  1  0.43  0.16  0.67  1.0
  P  P4  1  0.43  0.72  0.43  1.0
  P  P5  1  0.54  0.72  0.67  1.0
  P  P6  1  0.66  0.0  0.49  1.0
  P  P7  1  0.66  0.44  0.49  1.0
  P  P8  1  0.76  0.72  0.42  1.0
  P  P9  1  0.89  0.16  0.43  1.0
  P  P10  1  0.98  0.0  0.36  1.0
  P  P11  1  0.98  0.44  0.36  1.0
  Ru  Ru12  1  0.04  0.16  0.59  1.0
  Ru  Ru13  1  0.13  0.16  0.72  1.0
  Ru  Ru14  1  0.19  0.72  0.72  1.0
  Ru  Ru15  1  0.45  0.16  0.13  1.0
  Ru  Ru16  1  0.52  0.72  0.13  1.0
  Ru  Ru17  1  0.61  0.72  0.27  1.0
  Ru  Ru18  1  0.66  0.0  0.88  1.0
  Ru  Ru19  1  0.66  0.44  0.88  1.0
  Ru  Ru20  1  0.72  0.16  0.27  1.0
  Ru  Ru21  1  0.93  0.72  0.59  1.0
  Ru  Ru22  1  0.98  0.0  0.98  1.0
  Ru  Ru23  1  0.98  0.44  0.98  1.0

P P P P P P P P P P P P Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru Ru
Ru(P) crystallizes in the triclinic P1 space group. There are twelve inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one Ru(10), one Ru(11), one Ru(7), and one P(1) atom. The Ru(1)-Ru(10) bond length is 2.95 Å. The Ru(1)-Ru(11) bond length is 2.49 Å. The Ru(1)-Ru(7) bond length is 1.20 Å. The Ru(1)-P(1) bond length is 2.03 Å. In the second Ru site, Ru(2) is bonded in a 2-coordinate geometry to one Ru(12), one Ru(8), one Ru(9), and one P(2) atom. The Ru(2)-Ru(12) bond length is 2.95 Å. The Ru(2)-Ru(8) bond length is 1.20 Å. The Ru(2)-Ru(9) bond length is 2.95 Å. The Ru(2)-P(2) bond length is 2.03 Å. In the third Ru site, Ru(3) is bonded in a 2-coordinate geometry to one Ru(12), one Ru(5), one Ru(9), and one P(3) atom. The Ru(3)-Ru(12) bond length is 3.13 Å. The Ru(3)-Ru(5) bond length is 2.06 Å. The Ru(3)-Ru(9) bond length is 2.70 Å. The Ru(3)-P(3) bond length is 2.30 Å. In the fourth Ru site, Ru(4) is bonded in a 2-coordinate geometry to one Ru(10), one Ru(6), one P(4), and one P(8) atom. The Ru(4)-Ru(10) bond length is 3.13 Å. The Ru(4)-Ru(6) bond length is 2.06 Å. The Ru(4)-P(4) bond length is 2.30 Å. The Ru(4)-P(8) bond length is 2.78 Å. In the fifth Ru site, Ru(5) is bonded in a 1-coordinate geometry to one Ru(3), one P(10), one P(12), one P(3), one P(5), and one P(9) atom. The Ru(5)-P(10) bond length is 2.71 Å. The Ru(5)-P(12) bond length is 2.65 Å. The Ru(5)-P(3) bond length is 2.68 Å. The Ru(5)-P(5) bond length is 1.71 Å. The Ru(5)-P(9) bond length is 2.13 Å. In the sixth Ru site, Ru(6) is bonded in a 2-coordinate geometry to one Ru(4), one P(10), one P(12), one P(4), and one P(6) atom. The Ru(6)-P(10) bond length is 2.65 Å. The Ru(6)-P(12) bond length is 2.71 Å. The Ru(6)-P(4) bond length is 2.68 Å. The Ru(6)-P(6) bond length is 1.71 Å. In the seventh Ru site, Ru(7) is bonded in a 3-coordinate geometry to one Ru(1), one P(10), one P(5), and one P(7) atom. The Ru(7)-P(10) bond length is 2.65 Å. The Ru(7)-P(5) bond length is 1.59 Å. The Ru(7)-P(7) bond length is 1.71 Å. In the eighth Ru site, Ru(8) is bonded in a 3-coordinate geometry to one Ru(2), one P(12), one P(6), and one P(8) atom. The Ru(8)-P(12) bond length is 2.65 Å. The Ru(8)-P(6) bond length is 1.59 Å. The Ru(8)-P(8) bond length is 1.71 Å. In the ninth Ru site, Ru(9) is bonded in a 7-coordinate geometry to one Ru(11), one Ru(12), one Ru(2), one Ru(3), one P(1), one P(4), and one P(9) atom. The Ru(9)-Ru(11) bond length is 2.28 Å. The Ru(9)-Ru(12) bond length is 3.03 Å. The Ru(9)-P(1) bond length is 2.48 Å. The Ru(9)-P(4) bond length is 2.62 Å. The Ru(9)-P(9) bond length is 3.00 Å. In the tenth Ru site, Ru(10) is bonded in a 6-coordinate geometry to one Ru(1), one Ru(12), one Ru(4), one P(10), one P(2), and one P(3) atom. The Ru(10)-Ru(12) bond length is 2.28 Å. The Ru(10)-P(10) bond length is 3.00 Å. The Ru(10)-P(2) bond length is 2.94 Å. The Ru(10)-P(3) bond length is 2.62 Å. In the eleventh Ru site, Ru(11) is bonded in a 3-coordinate geometry to one Ru(1), one Ru(9), and one P(3) atom. The Ru(11)-P(3) bond length is 2.10 Å. In the twelfth Ru site, Ru(12) is bonded in a 7-coordinate geometry to one Ru(10), one Ru(2), one Ru(3), one Ru(9), one P(1), one P(12), and one P(4) atom. The Ru(12)-P(1) bond length is 2.94 Å. The Ru(12)-P(12) bond length is 3.00 Å. The Ru(12)-P(4) bond length is 2.62 Å. There are twelve inequivalent P sites. In the first P site, P(1) is bonded in a 6-coordinate geometry to one Ru(1), one Ru(12), one Ru(9), one P(12), one P(7), and one P(9) atom. The P(1)-P(12) bond length is 2.85 Å. The P(1)-P(7) bond length is 2.45 Å. The P(1)-P(9) bond length is 2.37 Å. In the second P site, P(2) is bonded in a 1-coordinate geometry to one Ru(10), one Ru(2), one P(10), and one P(8) atom. The P(2)-P(10) bond length is 2.85 Å. The P(2)-P(8) bond length is 2.45 Å. In the third P site, P(3) is bonded in a 8-coordinate geometry to one Ru(10), one Ru(11), one Ru(3), one Ru(5), one P(10), one P(11), one P(5), and one P(7) atom. The P(3)-P(10) bond length is 2.53 Å. The P(3)-P(11) bond length is 1.98 Å. The P(3)-P(5) bond length is 2.45 Å. The P(3)-P(7) bond length is 2.04 Å. In the fourth P site, P(4) is bonded in a distorted hexagonal bipyramidal geometry to one Ru(12), one Ru(4), one Ru(6), one Ru(9), one P(12), one P(6), one P(8), and one P(9) atom. The P(4)-P(12) bond length is 2.53 Å. The P(4)-P(6) bond length is 2.45 Å. The P(4)-P(8) bond length is 2.04 Å. The P(4)-P(9) bond length is 2.53 Å. In the fifth P site, P(5) is bonded in a 3-coordinate geometry to one Ru(5), one Ru(7), one P(10), one P(11), one P(12), one P(3), and one P(9) atom. The P(5)-P(10) bond length is 2.10 Å. The P(5)-P(11) bond length is 1.39 Å. The P(5)-P(12) bond length is 2.49 Å. The P(5)-P(9) bond length is 1.93 Å. In the sixth P site, P(6) is bonded in a 2-coordinate geometry to one Ru(6), one Ru(8), one P(10), one P(12), one P(4), one P(8), and one P(9) atom. The P(6)-P(10) bond length is 2.49 Å. The P(6)-P(12) bond length is 2.10 Å. The P(6)-P(8) bond length is 2.14 Å. The P(6)-P(9) bond length is 2.10 Å. In the seventh P site, P(7) is bonded in a 1-coordinate geometry to one Ru(7), one P(1), one P(10), and one P(3) atom. The P(7)-P(10) bond length is 2.49 Å. In the eighth P site, P(8) is bonded in a 7-coordinate geometry to one Ru(4), one Ru(8), one P(12), one P(2), one P(4), one P(6), and one P(9) atom. The P(8)-P(12) bond length is 2.49 Å. The P(8)-P(9) bond length is 2.49 Å. In the ninth P site, P(9) is bonded in a 4-coordinate geometry to one Ru(5), one Ru(9), one P(1), one P(4), one P(5), one P(6), and one P(8) atom. In the tenth P site, P(10) is bonded in a 10-coordinate geometry to one Ru(10), one Ru(5), one Ru(6), one Ru(7), one P(12), one P(2), one P(3), one P(5), one P(6), and one P(7) atom. The P(10)-P(12) bond length is 2.38 Å. In the eleventh P site, P(11) is bonded in a distorted single-bond geometry to one P(3) and one P(5) atom. In the twelfth P site, P(12) is bonded in a 10-coordinate geometry to one Ru(12), one Ru(5), one Ru(6), one Ru(8), one P(1), one P(10), one P(4), one P(5), one P(6), and one P(8) atom.