The material described by Sc2Ru12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 15-coordinate geometry to three equivalent Ru(1), six equivalent Ru(4), and six equivalent P(3) atoms. In the second Sc site, Sc(2) is bonded in a 18-coordinate geometry to three equivalent Ru(3), three equivalent Ru(4), six equivalent Ru(1), and six equivalent P(1) atoms. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to one Sc(1), two equivalent Sc(2), one Ru(2), two equivalent Ru(3), two equivalent Ru(4), two equivalent P(1), and two equivalent P(3) atoms. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Ru(1), two equivalent Ru(4), four equivalent Ru(3), one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ru site, Ru(3) is bonded in a 12-coordinate geometry to one Sc(2), one Ru(4), two equivalent Ru(1), four equivalent Ru(2), one P(2), one P(3), and two equivalent P(1) atoms. In the fourth Ru site, Ru(4) is bonded in a 12-coordinate geometry to one Sc(2), two equivalent Sc(1), one Ru(3), two equivalent Ru(1), two equivalent Ru(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ru(2), two equivalent Ru(1), two equivalent Ru(3), and two equivalent Ru(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Ru(3) and six equivalent Ru(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ru(3), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(4) atoms. is represented by the CIF file [CIF]
data_Sc2P7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.292
_cell_length_b   9.292
_cell_length_c   3.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   291.282
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.667  0.333  0.500  1.0
  Sc  Sc1  1  0.333  0.667  1.000  1.0
  P  P2  1  0.597  0.718  0.500  1.0
  P  P3  1  0.000  1.000  0.000  1.0
  P  P4  1  0.282  0.880  0.500  1.0
  P  P5  1  0.120  0.403  0.500  1.0
  P  P6  1  0.882  0.573  1.000  1.0
  P  P7  1  0.427  0.310  1.000  1.0
  P  P8  1  0.690  0.118  1.000  1.0
  Ru  Ru9  1  0.554  0.947  0.500  1.0
  Ru  Ru10  1  0.393  0.446  0.500  1.0
  Ru  Ru11  1  0.914  0.122  0.500  1.0
  Ru  Ru12  1  0.208  0.086  0.500  1.0
  Ru  Ru13  1  0.878  0.792  0.500  1.0
  Ru  Ru14  1  0.726  0.891  1.000  1.0
  Ru  Ru15  1  0.109  0.835  1.000  1.0
  Ru  Ru16  1  0.165  0.274  1.000  1.0
  Ru  Ru17  1  0.427  0.068  1.000  1.0
  Ru  Ru18  1  0.932  0.359  0.000  1.0
  Ru  Ru19  1  0.641  0.573  0.000  1.0
  Ru  Ru20  1  0.053  0.607  0.500  1.0
[/CIF]
.
The material described by Sc2Ru12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 15-coordinate geometry to three equivalent Ru(1), six equivalent Ru(4), and six equivalent P(3) atoms. In the second Sc site, Sc(2) is bonded in a 18-coordinate geometry to three equivalent Ru(3), three equivalent Ru(4), six equivalent Ru(1), and six equivalent P(1) atoms. There are four inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 12-coordinate geometry to one Sc(1), two equivalent Sc(2), one Ru(2), two equivalent Ru(3), two equivalent Ru(4), two equivalent P(1), and two equivalent P(3) atoms. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Ru(1), two equivalent Ru(4), four equivalent Ru(3), one P(1), two equivalent P(2), and two equivalent P(3) atoms. In the third Ru site, Ru(3) is bonded in a 12-coordinate geometry to one Sc(2), one Ru(4), two equivalent Ru(1), four equivalent Ru(2), one P(2), one P(3), and two equivalent P(1) atoms. In the fourth Ru site, Ru(4) is bonded in a 12-coordinate geometry to one Sc(2), two equivalent Sc(1), one Ru(3), two equivalent Ru(1), two equivalent Ru(2), two equivalent P(1), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ru(2), two equivalent Ru(1), two equivalent Ru(3), and two equivalent Ru(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to three equivalent Ru(3) and six equivalent Ru(2) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ru(3), two equivalent Ru(1), two equivalent Ru(2), and two equivalent Ru(4) atoms. is represented by the CIF file [CIF]
data_Sc2P7Ru12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.292
_cell_length_b   9.292
_cell_length_c   3.895
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   291.282
_cell_formula_units_Z   1
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
  Sc  Sc0  1  0.667  0.333  0.500  1.0
  Sc  Sc1  1  0.333  0.667  1.000  1.0
  P  P2  1  0.597  0.718  0.500  1.0
  P  P3  1  0.000  1.000  0.000  1.0
  P  P4  1  0.282  0.880  0.500  1.0
  P  P5  1  0.120  0.403  0.500  1.0
  P  P6  1  0.882  0.573  1.000  1.0
  P  P7  1  0.427  0.310  1.000  1.0
  P  P8  1  0.690  0.118  1.000  1.0
  Ru  Ru9  1  0.554  0.947  0.500  1.0
  Ru  Ru10  1  0.393  0.446  0.500  1.0
  Ru  Ru11  1  0.914  0.122  0.500  1.0
  Ru  Ru12  1  0.208  0.086  0.500  1.0
  Ru  Ru13  1  0.878  0.792  0.500  1.0
  Ru  Ru14  1  0.726  0.891  1.000  1.0
  Ru  Ru15  1  0.109  0.835  1.000  1.0
  Ru  Ru16  1  0.165  0.274  1.000  1.0
  Ru  Ru17  1  0.427  0.068  1.000  1.0
  Ru  Ru18  1  0.932  0.359  0.000  1.0
  Ru  Ru19  1  0.641  0.573  0.000  1.0
  Ru  Ru20  1  0.053  0.607  0.500  1.0
[/CIF]
.