data_P4Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75
_cell_length_b   7.2
_cell_length_c   7.58
_cell_angle_alpha   111.19
_cell_angle_beta   90.36
_cell_angle_gamma   100.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4Ru
_chemical_formula_sum   'P12 Ru3'
_cell_volume   236.81
_cell_formula_units_Z   3
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  0.77  0.74  0.41  1.0
  P  P1  1  0.63  0.55  0.63  1.0
  P  P2  1  0.38  0.75  0.88  1.0
  P  P3  1  0.32  0.09  0.35  1.0
  P  P4  1  0.08  0.2  0.7  1.0
  P  P5  1  0.59  0.95  0.53  1.0
  P  P6  1  0.8  0.33  0.51  1.0
  P  P7  1  0.71  0.77  0.18  1.0
  P  P8  1  0.68  0.52  0.87  1.0
  P  P9  1  1.0  0.39  0.08  1.0
  P  P10  1  0.4  0.9  0.96  1.0
  P  P11  1  0.01  0.54  0.17  1.0
  Ru  Ru12  1  0.44  0.52  0.31  1.0
  Ru  Ru13  1  0.95  0.77  0.73  1.0
  Ru  Ru14  1  0.0  0.0  0.0  1.0

data_P4Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.75
_cell_length_b   7.2
_cell_length_c   7.58
_cell_angle_alpha   111.19
_cell_angle_beta   90.36
_cell_angle_gamma   100.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P4Ru
_chemical_formula_sum   'P12 Ru3'
_cell_volume   236.81
_cell_formula_units_Z   3
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  0.01  0.54  0.17  1.0
  P  P1  1  0.08  0.2  0.7  1.0
  P  P2  1  0.32  0.09  0.35  1.0
  P  P3  1  0.38  0.75  0.88  1.0
  P  P4  1  0.4  0.9  0.96  1.0
  P  P5  1  0.59  0.95  0.53  1.0
  P  P6  1  0.63  0.55  0.63  1.0
  P  P7  1  0.68  0.52  0.87  1.0
  P  P8  1  0.71  0.77  0.18  1.0
  P  P9  1  0.77  0.74  0.41  1.0
  P  P10  1  0.8  0.33  0.51  1.0
  P  P11  1  1.0  0.39  0.08  1.0
  Ru  Ru12  1  0.0  0.0  0.0  1.0
  Ru  Ru13  1  0.44  0.52  0.31  1.0
  Ru  Ru14  1  0.95  0.77  0.73  1.0

P P P P P P P P P P P P Ru Ru Ru
P P P P P P P P P P P P Ru Ru Ru 0 12 o o o 0 7 o o o 0 5 o o o 0 4 + + o 1 6 o o o 1 8 o o o 1 13 o o o 2 10 o o o 2 8 o o o 2 13 - o o 3 14 o o o 3 4 o o o 3 7 o - o 3 10 o - - 3 5 o - o 3 12 o o o 3 6 o o o 4 5 - - o 4 5 o - o 4 14 o o + 4 13 - - o 4 6 - o o 4 9 - o + 4 8 - o o 4 8 o o o 7 11 + o o 9 11 + o o 10 14 o + + 11 12 o o o 13 14 + + + 
RuP4 crystallizes in the triclinic P1 space group. There are three inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 1-coordinate geometry to one P(1), one P(2), and one P(4) atom. The Ru(1)-P(1) bond length is 1.92 Å. The Ru(1)-P(2) bond length is 2.47 Å. The Ru(1)-P(4) bond length is 3.14 Å. In the second Ru site, Ru(2) is bonded in a 5-coordinate geometry to one Ru(3), one P(1), one P(2), one P(3), one P(5), and one P(9) atom. The Ru(2)-Ru(3) bond length is 2.10 Å. The Ru(2)-P(1) bond length is 2.47 Å. The Ru(2)-P(2) bond length is 1.92 Å. The Ru(2)-P(3) bond length is 2.37 Å. The Ru(2)-P(5) bond length is 3.14 Å. The Ru(2)-P(9) bond length is 2.51 Å. In the third Ru site, Ru(3) is bonded in a 7-coordinate geometry to one Ru(2), one P(10), one P(4), one P(5), one P(8), and two equivalent P(11) atoms. The Ru(3)-P(10) bond length is 2.63 Å. The Ru(3)-P(4) bond length is 2.82 Å. The Ru(3)-P(5) bond length is 3.09 Å. The Ru(3)-P(8) bond length is 2.72 Å. There is one shorter (2.12 Å) and one longer (2.81 Å) Ru(3)-P(11) bond length. 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(2), one P(12), one P(2), one P(6), and one P(8) atom. The P(1)-P(12) bond length is 2.38 Å. The P(1)-P(2) bond length is 2.52 Å. The P(1)-P(6) bond length is 1.82 Å. The P(1)-P(8) bond length is 1.87 Å. In the second P site, P(2) is bonded in a 6-coordinate geometry to one Ru(1), one Ru(2), one P(1), one P(3), one P(7), and one P(9) atom. The P(2)-P(3) bond length is 2.38 Å. The P(2)-P(7) bond length is 1.82 Å. The P(2)-P(9) bond length is 1.87 Å. In the third P site, P(3) is bonded in a single-bond geometry to one Ru(2), one P(11), and one P(2) atom. The P(3)-P(11) bond length is 1.05 Å. In the fourth P site, P(4) is bonded in a 6-coordinate geometry to one Ru(1), one Ru(3), one P(11), one P(5), one P(6), and one P(7) atom. The P(4)-P(11) bond length is 2.78 Å. The P(4)-P(5) bond length is 2.82 Å. The P(4)-P(6) bond length is 2.48 Å. The P(4)-P(7) bond length is 2.61 Å. In the fifth P site, P(5) is bonded in a 6-coordinate geometry to one Ru(2), one Ru(3), one P(10), one P(4), one P(6), and one P(7) atom. The P(5)-P(10) bond length is 2.78 Å. The P(5)-P(6) bond length is 2.61 Å. The P(5)-P(7) bond length is 2.48 Å. In the sixth P site, P(6) is bonded in a 1-coordinate geometry to one P(1), one P(4), and one P(5) atom. In the seventh P site, P(7) is bonded in a 1-coordinate geometry to one P(2), one P(4), and one P(5) atom. In the eighth P site, P(8) is bonded in a 1-coordinate geometry to one Ru(3) and one P(1) atom. In the ninth P site, P(9) is bonded in a 1-coordinate geometry to one Ru(2) and one P(2) atom. In the tenth P site, P(10) is bonded in a single-bond geometry to one Ru(3), one P(12), and one P(5) atom. The P(10)-P(12) bond length is 1.05 Å. In the eleventh P site, P(11) is bonded in a distorted single-bond geometry to two equivalent Ru(3), one P(3), and one P(4) atom. In the twelfth P site, P(12) is bonded in a distorted single-bond geometry to one P(1) and one P(10) atom.