The material described by Dy5Ir19P12 crystallizes in the hexagonal P-62m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 15-coordinate geometry to three equivalent Ir(4), six equivalent Ir(1), and six equivalent P(2) atoms. In the second Dy site, Dy(2) is bonded in a 16-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), two equivalent Ir(5), four equivalent Ir(4), two equivalent P(1), and four equivalent P(3) atoms. There are five inequivalent Ir sites. In the first Ir site, Ir(5) is bonded in a 9-coordinate geometry to six equivalent Dy(2) and three equivalent P(3) atoms. In the second Ir site, Ir(1) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), one Ir(1), two equivalent Ir(2), two equivalent Ir(4), two equivalent P(1), and two equivalent P(2) atoms. In the third Ir site, Ir(2) is bonded in a distorted single-bond geometry to two equivalent Ir(3), two equivalent Ir(4), four equivalent Ir(1), one P(1), and four equivalent P(2) atoms. In the fourth Ir site, Ir(3) is bonded in a 12-coordinate geometry to two equivalent Dy(2), two equivalent Ir(2), four equivalent Ir(4), two equivalent P(2), and two equivalent P(3) atoms. In the fifth Ir site, Ir(4) is bonded in a 12-coordinate geometry to one Dy(1), two equivalent Dy(2), one Ir(2), two equivalent Ir(1), two equivalent Ir(3), 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 two equivalent Dy(2), one Ir(2), two equivalent Ir(4), and four equivalent Ir(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Ir(3), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Ir(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Dy(2), one Ir(5), two equivalent Ir(3), and two equivalent Ir(4) atoms. is represented by the CIF file [CIF]
data_Dy5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.639
_cell_length_b   12.639
_cell_length_c   3.963
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   548.231
_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
  Dy  Dy0  1  0.333  0.667  0.500  1.0
  Dy  Dy1  1  0.667  0.333  0.500  1.0
  Dy  Dy2  1  1.000  0.817  1.000  1.0
  Dy  Dy3  1  0.183  0.183  0.000  1.0
  Dy  Dy4  1  0.817  0.000  1.000  1.0
  P  P5  1  0.000  0.644  0.500  1.0
  P  P6  1  0.356  0.356  0.500  1.0
  P  P7  1  0.644  0.000  0.500  1.0
  P  P8  1  0.518  0.688  1.000  1.0
  P  P9  1  0.312  0.829  0.000  1.0
  P  P10  1  0.171  0.482  0.000  1.0
  P  P11  1  0.482  0.171  1.000  1.0
  P  P12  1  0.688  0.518  0.000  1.0
  P  P13  1  0.829  0.312  0.000  1.0
  P  P14  1  1.000  0.178  0.500  1.0
  P  P15  1  0.822  0.822  0.500  1.0
  P  P16  1  0.178  0.000  0.500  1.0
  Ir  Ir17  1  0.506  0.867  0.000  1.0
  Ir  Ir18  1  0.133  0.639  1.000  1.0
  Ir  Ir19  1  0.361  0.494  0.000  1.0
  Ir  Ir20  1  0.494  0.361  1.000  1.0
  Ir  Ir21  1  0.867  0.506  0.000  1.0
  Ir  Ir22  1  0.639  0.133  0.000  1.0
  Ir  Ir23  1  1.000  0.465  0.500  1.0
  Ir  Ir24  1  0.535  0.535  0.500  1.0
  Ir  Ir25  1  0.465  0.000  0.500  1.0
  Ir  Ir26  1  1.000  0.285  0.000  1.0
  Ir  Ir27  1  0.715  0.715  0.000  1.0
  Ir  Ir28  1  0.285  0.000  1.000  1.0
  Ir  Ir29  1  0.625  0.806  0.500  1.0
  Ir  Ir30  1  0.194  0.819  0.500  1.0
  Ir  Ir31  1  0.181  0.375  0.500  1.0
  Ir  Ir32  1  0.375  0.181  0.500  1.0
  Ir  Ir33  1  0.806  0.625  0.500  1.0
  Ir  Ir34  1  0.819  0.194  0.500  1.0
  Ir  Ir35  1  0.000  0.000  0.500  1.0
[/CIF]
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The material described by Dy5Ir19P12 crystallizes in the hexagonal P-62m space group. There are two inequivalent Dy sites. In the first Dy site, Dy(1) is bonded in a 15-coordinate geometry to three equivalent Ir(4), six equivalent Ir(1), and six equivalent P(2) atoms. In the second Dy site, Dy(2) is bonded in a 16-coordinate geometry to two equivalent Ir(1), two equivalent Ir(3), two equivalent Ir(5), four equivalent Ir(4), two equivalent P(1), and four equivalent P(3) atoms. There are five inequivalent Ir sites. In the first Ir site, Ir(5) is bonded in a 9-coordinate geometry to six equivalent Dy(2) and three equivalent P(3) atoms. In the second Ir site, Ir(1) is bonded in a 12-coordinate geometry to one Dy(2), two equivalent Dy(1), one Ir(1), two equivalent Ir(2), two equivalent Ir(4), two equivalent P(1), and two equivalent P(2) atoms. In the third Ir site, Ir(2) is bonded in a distorted single-bond geometry to two equivalent Ir(3), two equivalent Ir(4), four equivalent Ir(1), one P(1), and four equivalent P(2) atoms. In the fourth Ir site, Ir(3) is bonded in a 12-coordinate geometry to two equivalent Dy(2), two equivalent Ir(2), four equivalent Ir(4), two equivalent P(2), and two equivalent P(3) atoms. In the fifth Ir site, Ir(4) is bonded in a 12-coordinate geometry to one Dy(1), two equivalent Dy(2), one Ir(2), two equivalent Ir(1), two equivalent Ir(3), 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 two equivalent Dy(2), one Ir(2), two equivalent Ir(4), and four equivalent Ir(1) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Dy(1), one Ir(3), two equivalent Ir(1), two equivalent Ir(2), and two equivalent Ir(4) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Dy(2), one Ir(5), two equivalent Ir(3), and two equivalent Ir(4) atoms. is represented by the CIF file [CIF]
data_Dy5P12Ir19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.639
_cell_length_b   12.639
_cell_length_c   3.963
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   548.231
_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
  Dy  Dy0  1  0.333  0.667  0.500  1.0
  Dy  Dy1  1  0.667  0.333  0.500  1.0
  Dy  Dy2  1  1.000  0.817  1.000  1.0
  Dy  Dy3  1  0.183  0.183  0.000  1.0
  Dy  Dy4  1  0.817  0.000  1.000  1.0
  P  P5  1  0.000  0.644  0.500  1.0
  P  P6  1  0.356  0.356  0.500  1.0
  P  P7  1  0.644  0.000  0.500  1.0
  P  P8  1  0.518  0.688  1.000  1.0
  P  P9  1  0.312  0.829  0.000  1.0
  P  P10  1  0.171  0.482  0.000  1.0
  P  P11  1  0.482  0.171  1.000  1.0
  P  P12  1  0.688  0.518  0.000  1.0
  P  P13  1  0.829  0.312  0.000  1.0
  P  P14  1  1.000  0.178  0.500  1.0
  P  P15  1  0.822  0.822  0.500  1.0
  P  P16  1  0.178  0.000  0.500  1.0
  Ir  Ir17  1  0.506  0.867  0.000  1.0
  Ir  Ir18  1  0.133  0.639  1.000  1.0
  Ir  Ir19  1  0.361  0.494  0.000  1.0
  Ir  Ir20  1  0.494  0.361  1.000  1.0
  Ir  Ir21  1  0.867  0.506  0.000  1.0
  Ir  Ir22  1  0.639  0.133  0.000  1.0
  Ir  Ir23  1  1.000  0.465  0.500  1.0
  Ir  Ir24  1  0.535  0.535  0.500  1.0
  Ir  Ir25  1  0.465  0.000  0.500  1.0
  Ir  Ir26  1  1.000  0.285  0.000  1.0
  Ir  Ir27  1  0.715  0.715  0.000  1.0
  Ir  Ir28  1  0.285  0.000  1.000  1.0
  Ir  Ir29  1  0.625  0.806  0.500  1.0
  Ir  Ir30  1  0.194  0.819  0.500  1.0
  Ir  Ir31  1  0.181  0.375  0.500  1.0
  Ir  Ir32  1  0.375  0.181  0.500  1.0
  Ir  Ir33  1  0.806  0.625  0.500  1.0
  Ir  Ir34  1  0.819  0.194  0.500  1.0
  Ir  Ir35  1  0.000  0.000  0.500  1.0
[/CIF]
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