The crystal structure described by Sc5Ir19P12 crystallizes in the hexagonal P-62m 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 Ir(3), six equivalent Ir(2), and six equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded in a 14-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), two equivalent Ir(5), four equivalent Ir(3), two equivalent P(3), and four equivalent P(1) atoms. There are five inequivalent Ir sites. In the first Ir site, Ir(4) is bonded in a 12-coordinate geometry to two equivalent Sc(2), two equivalent Ir(1), four equivalent Ir(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Ir site, Ir(5) is bonded in a 9-coordinate geometry to six equivalent Sc(2) and three equivalent P(1) atoms. In the third Ir site, Ir(1) is bonded in a distorted single-bond geometry to two equivalent Ir(3), two equivalent Ir(4), four equivalent Ir(2), one P(3), and four equivalent P(2) atoms. In the fourth Ir site, Ir(2) is bonded in a 12-coordinate geometry to one Sc(2), two equivalent Sc(1), one Ir(2), two equivalent Ir(1), two equivalent Ir(3), two equivalent P(2), and two equivalent P(3) atoms. In the fifth Ir site, Ir(3) is bonded in a 12-coordinate geometry to one Sc(1), two equivalent Sc(2), one Ir(1), two equivalent Ir(2), two equivalent Ir(4), one P(1), one P(3), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Ir(5), two equivalent Ir(3), and two equivalent Ir(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ir(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Ir(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ir(1), two equivalent Ir(3), and four equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.569
_cell_length_b   12.569
_cell_length_c   3.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   533.047
_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  0.333  0.667  0.000  1.0
  Sc  Sc1  1  0.667  0.333  0.000  1.0
  Sc  Sc2  1  0.821  1.000  0.500  1.0
  Sc  Sc3  1  0.000  0.821  0.500  1.0
  Sc  Sc4  1  0.179  0.179  0.500  1.0
  P  P5  1  0.176  1.000  1.000  1.0
  P  P6  1  0.000  0.176  1.000  1.0
  P  P7  1  0.824  0.824  1.000  1.0
  P  P8  1  0.171  0.484  0.500  1.0
  P  P9  1  0.516  0.687  0.500  1.0
  P  P10  1  0.313  0.829  0.500  1.0
  P  P11  1  0.687  0.516  0.500  1.0
  P  P12  1  0.829  0.313  0.500  1.0
  P  P13  1  0.484  0.171  0.500  1.0
  P  P14  1  0.647  1.000  1.000  1.0
  P  P15  1  1.000  0.647  0.000  1.0
  P  P16  1  0.353  0.353  1.000  1.0
  Ir  Ir17  1  0.466  0.000  1.000  1.0
  Ir  Ir18  1  0.000  0.466  0.000  1.0
  Ir  Ir19  1  0.534  0.534  0.000  1.0
  Ir  Ir20  1  0.359  0.495  0.500  1.0
  Ir  Ir21  1  0.505  0.863  0.500  1.0
  Ir  Ir22  1  0.137  0.641  0.500  1.0
  Ir  Ir23  1  0.863  0.505  0.500  1.0
  Ir  Ir24  1  0.641  0.137  0.500  1.0
  Ir  Ir25  1  0.495  0.359  0.500  1.0
  Ir  Ir26  1  0.181  0.372  0.000  1.0
  Ir  Ir27  1  0.628  0.809  0.000  1.0
  Ir  Ir28  1  0.191  0.819  0.000  1.0
  Ir  Ir29  1  0.809  0.628  0.000  1.0
  Ir  Ir30  1  0.819  0.191  0.000  1.0
  Ir  Ir31  1  0.372  0.181  0.000  1.0
  Ir  Ir32  1  0.285  1.000  0.500  1.0
  Ir  Ir33  1  0.000  0.285  0.500  1.0
  Ir  Ir34  1  0.715  0.715  0.500  1.0
  Ir  Ir35  1  1.000  1.000  1.000  1.0
[/CIF]
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The crystal structure described by Sc5Ir19P12 crystallizes in the hexagonal P-62m 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 Ir(3), six equivalent Ir(2), and six equivalent P(2) atoms. In the second Sc site, Sc(2) is bonded in a 14-coordinate geometry to two equivalent Ir(2), two equivalent Ir(4), two equivalent Ir(5), four equivalent Ir(3), two equivalent P(3), and four equivalent P(1) atoms. There are five inequivalent Ir sites. In the first Ir site, Ir(4) is bonded in a 12-coordinate geometry to two equivalent Sc(2), two equivalent Ir(1), four equivalent Ir(3), two equivalent P(1), and two equivalent P(2) atoms. In the second Ir site, Ir(5) is bonded in a 9-coordinate geometry to six equivalent Sc(2) and three equivalent P(1) atoms. In the third Ir site, Ir(1) is bonded in a distorted single-bond geometry to two equivalent Ir(3), two equivalent Ir(4), four equivalent Ir(2), one P(3), and four equivalent P(2) atoms. In the fourth Ir site, Ir(2) is bonded in a 12-coordinate geometry to one Sc(2), two equivalent Sc(1), one Ir(2), two equivalent Ir(1), two equivalent Ir(3), two equivalent P(2), and two equivalent P(3) atoms. In the fifth Ir site, Ir(3) is bonded in a 12-coordinate geometry to one Sc(1), two equivalent Sc(2), one Ir(1), two equivalent Ir(2), two equivalent Ir(4), one P(1), one P(3), and two equivalent P(2) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a 9-coordinate geometry to four equivalent Sc(2), one Ir(5), two equivalent Ir(3), and two equivalent Ir(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Sc(1), one Ir(4), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Ir(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to two equivalent Sc(2), one Ir(1), two equivalent Ir(3), and four equivalent Ir(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sc5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.569
_cell_length_b   12.569
_cell_length_c   3.896
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   533.047
_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  0.333  0.667  0.000  1.0
  Sc  Sc1  1  0.667  0.333  0.000  1.0
  Sc  Sc2  1  0.821  1.000  0.500  1.0
  Sc  Sc3  1  0.000  0.821  0.500  1.0
  Sc  Sc4  1  0.179  0.179  0.500  1.0
  P  P5  1  0.176  1.000  1.000  1.0
  P  P6  1  0.000  0.176  1.000  1.0
  P  P7  1  0.824  0.824  1.000  1.0
  P  P8  1  0.171  0.484  0.500  1.0
  P  P9  1  0.516  0.687  0.500  1.0
  P  P10  1  0.313  0.829  0.500  1.0
  P  P11  1  0.687  0.516  0.500  1.0
  P  P12  1  0.829  0.313  0.500  1.0
  P  P13  1  0.484  0.171  0.500  1.0
  P  P14  1  0.647  1.000  1.000  1.0
  P  P15  1  1.000  0.647  0.000  1.0
  P  P16  1  0.353  0.353  1.000  1.0
  Ir  Ir17  1  0.466  0.000  1.000  1.0
  Ir  Ir18  1  0.000  0.466  0.000  1.0
  Ir  Ir19  1  0.534  0.534  0.000  1.0
  Ir  Ir20  1  0.359  0.495  0.500  1.0
  Ir  Ir21  1  0.505  0.863  0.500  1.0
  Ir  Ir22  1  0.137  0.641  0.500  1.0
  Ir  Ir23  1  0.863  0.505  0.500  1.0
  Ir  Ir24  1  0.641  0.137  0.500  1.0
  Ir  Ir25  1  0.495  0.359  0.500  1.0
  Ir  Ir26  1  0.181  0.372  0.000  1.0
  Ir  Ir27  1  0.628  0.809  0.000  1.0
  Ir  Ir28  1  0.191  0.819  0.000  1.0
  Ir  Ir29  1  0.809  0.628  0.000  1.0
  Ir  Ir30  1  0.819  0.191  0.000  1.0
  Ir  Ir31  1  0.372  0.181  0.000  1.0
  Ir  Ir32  1  0.285  1.000  0.500  1.0
  Ir  Ir33  1  0.000  0.285  0.500  1.0
  Ir  Ir34  1  0.715  0.715  0.500  1.0
  Ir  Ir35  1  1.000  1.000  1.000  1.0
[/CIF]
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