The material structure described by Hf2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), one P(1), and four equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(3), and six equivalent P(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one P(1), one P(3), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to six equivalent Hf(1) and three 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 one Hf(2), two equivalent Hf(1), two equivalent Co(1), and four equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Co(2), two equivalent Co(1), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Co4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.947
_cell_length_b   11.948
_cell_length_c   3.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   446.964
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.826  0.826  0.500  1.0
  Hf  Hf1  1  0.444  0.444  0.000  1.0
  Hf  Hf2  1  1.000  0.174  0.500  1.0
  Hf  Hf3  1  0.556  0.000  0.000  1.0
  Hf  Hf4  1  0.333  0.667  0.000  1.0
  Hf  Hf5  1  0.667  0.333  0.000  1.0
  Hf  Hf6  1  0.000  0.556  1.000  1.0
  Hf  Hf7  1  0.174  0.000  0.500  1.0
  Co  Co8  1  0.627  0.820  0.000  1.0
  Co  Co9  1  0.373  0.193  0.000  1.0
  Co  Co10  1  0.000  0.722  0.500  1.0
  Co  Co11  1  0.278  0.278  0.500  1.0
  Co  Co12  1  0.873  0.356  0.500  1.0
  Co  Co13  1  0.722  1.000  0.500  1.0
  Co  Co14  1  0.820  0.627  0.000  1.0
  Co  Co15  1  0.180  0.807  1.000  1.0
  Co  Co16  1  0.356  0.873  0.500  1.0
  Co  Co17  1  0.127  0.483  0.500  1.0
  Co  Co18  1  0.644  0.517  0.500  1.0
  Co  Co19  1  0.000  0.000  0.000  1.0
  Co  Co20  1  0.517  0.644  0.500  1.0
  Co  Co21  1  0.483  0.127  0.500  1.0
  Co  Co22  1  0.193  0.373  0.000  1.0
  Co  Co23  1  0.807  0.180  1.000  1.0
  P  P24  1  1.000  0.345  0.000  1.0
  P  P25  1  0.826  0.518  0.500  1.0
  P  P26  1  0.692  0.174  0.500  1.0
  P  P27  1  0.175  0.175  1.000  1.0
  P  P28  1  0.655  0.655  1.000  1.0
  P  P29  1  0.825  0.000  0.000  1.0
  P  P30  1  0.518  0.826  0.500  1.0
  P  P31  1  0.174  0.692  0.500  1.0
  P  P32  1  0.345  0.000  1.000  1.0
  P  P33  1  0.482  0.308  0.500  1.0
  P  P34  1  1.000  0.825  0.000  1.0
  P  P35  1  0.308  0.482  0.500  1.0
[/CIF]
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The material structure described by Hf2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Hf sites. In the first Hf site, Hf(1) is bonded in a 14-coordinate geometry to two equivalent Co(2), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. In the second Hf site, Hf(2) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(2), four equivalent Co(3), one P(1), and four equivalent P(2) atoms. In the third Hf site, Hf(3) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(3), and six equivalent P(2) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Hf(2), one Hf(3), two equivalent Hf(1), one P(1), one P(3), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to two equivalent Hf(1), two equivalent Hf(2), two equivalent P(2), and two equivalent P(3) atoms. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a distorted trigonal planar geometry to six equivalent Hf(1) and three 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 one Hf(2), two equivalent Hf(1), two equivalent Co(1), and four equivalent Co(3) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Hf(2), two equivalent Hf(3), one Co(2), two equivalent Co(1), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Hf(1), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Hf2Co4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.947
_cell_length_b   11.948
_cell_length_c   3.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   446.964
_cell_formula_units_Z   4
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
  Hf  Hf0  1  0.826  0.826  0.500  1.0
  Hf  Hf1  1  0.444  0.444  0.000  1.0
  Hf  Hf2  1  1.000  0.174  0.500  1.0
  Hf  Hf3  1  0.556  0.000  0.000  1.0
  Hf  Hf4  1  0.333  0.667  0.000  1.0
  Hf  Hf5  1  0.667  0.333  0.000  1.0
  Hf  Hf6  1  0.000  0.556  1.000  1.0
  Hf  Hf7  1  0.174  0.000  0.500  1.0
  Co  Co8  1  0.627  0.820  0.000  1.0
  Co  Co9  1  0.373  0.193  0.000  1.0
  Co  Co10  1  0.000  0.722  0.500  1.0
  Co  Co11  1  0.278  0.278  0.500  1.0
  Co  Co12  1  0.873  0.356  0.500  1.0
  Co  Co13  1  0.722  1.000  0.500  1.0
  Co  Co14  1  0.820  0.627  0.000  1.0
  Co  Co15  1  0.180  0.807  1.000  1.0
  Co  Co16  1  0.356  0.873  0.500  1.0
  Co  Co17  1  0.127  0.483  0.500  1.0
  Co  Co18  1  0.644  0.517  0.500  1.0
  Co  Co19  1  0.000  0.000  0.000  1.0
  Co  Co20  1  0.517  0.644  0.500  1.0
  Co  Co21  1  0.483  0.127  0.500  1.0
  Co  Co22  1  0.193  0.373  0.000  1.0
  Co  Co23  1  0.807  0.180  1.000  1.0
  P  P24  1  1.000  0.345  0.000  1.0
  P  P25  1  0.826  0.518  0.500  1.0
  P  P26  1  0.692  0.174  0.500  1.0
  P  P27  1  0.175  0.175  1.000  1.0
  P  P28  1  0.655  0.655  1.000  1.0
  P  P29  1  0.825  0.000  0.000  1.0
  P  P30  1  0.518  0.826  0.500  1.0
  P  P31  1  0.174  0.692  0.500  1.0
  P  P32  1  0.345  0.000  1.000  1.0
  P  P33  1  0.482  0.308  0.500  1.0
  P  P34  1  1.000  0.825  0.000  1.0
  P  P35  1  0.308  0.482  0.500  1.0
[/CIF]
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