The compound described by Zr2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(4), four equivalent Co(2), one P(1), and four equivalent P(2) atoms. In the second Zr site, Zr(2) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(2), and six equivalent P(2) atoms. In the third Zr site, Zr(3) is bonded in a 16-coordinate geometry to two equivalent Co(2), two equivalent Co(3), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), two equivalent Zr(3), 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 one Zr(3), two equivalent Zr(1), two equivalent Zr(2), two equivalent P(1), and two equivalent P(2) atoms. In the third Co site, Co(3) is bonded in a distorted trigonal planar geometry to six equivalent Zr(3) and three equivalent P(3) atoms. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(3), one Co(3), two equivalent Co(1), and two equivalent Co(4) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), two equivalent Co(1), and four equivalent Co(2) atoms. In the third P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Zr2Co4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.014
_cell_length_b   12.015
_cell_length_c   3.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   456.549
_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
  Zr  Zr0  1  0.443  0.443  0.000  1.0
  Zr  Zr1  1  0.557  1.000  0.000  1.0
  Zr  Zr2  1  0.000  0.557  0.000  1.0
  Zr  Zr3  1  0.667  0.333  0.000  1.0
  Zr  Zr4  1  0.333  0.667  0.000  1.0
  Zr  Zr5  1  0.825  0.825  0.500  1.0
  Zr  Zr6  1  0.175  1.000  0.500  1.0
  Zr  Zr7  1  0.000  0.175  0.500  1.0
  Co  Co8  1  0.193  0.373  0.000  1.0
  Co  Co9  1  0.180  0.807  0.000  1.0
  Co  Co10  1  0.820  0.627  0.000  1.0
  Co  Co11  1  0.807  0.180  0.000  1.0
  Co  Co12  1  0.373  0.193  0.000  1.0
  Co  Co13  1  0.126  0.482  0.500  1.0
  Co  Co14  1  0.356  0.874  0.500  1.0
  Co  Co15  1  0.518  0.644  0.500  1.0
  Co  Co16  1  0.644  0.518  0.500  1.0
  Co  Co17  1  0.874  0.356  0.500  1.0
  Co  Co18  1  0.482  0.126  0.500  1.0
  Co  Co19  1  0.000  1.000  0.000  1.0
  Co  Co20  1  0.722  1.000  0.500  1.0
  Co  Co21  1  0.000  0.722  0.500  1.0
  Co  Co22  1  0.627  0.820  0.000  1.0
  Co  Co23  1  0.278  0.278  0.500  1.0
  P  P24  1  0.654  0.654  0.000  1.0
  P  P25  1  0.346  1.000  0.000  1.0
  P  P26  1  1.000  0.346  0.000  1.0
  P  P27  1  0.481  0.307  0.500  1.0
  P  P28  1  0.693  0.174  0.500  1.0
  P  P29  1  0.826  0.519  0.500  1.0
  P  P30  1  0.519  0.826  0.500  1.0
  P  P31  1  0.174  0.693  0.500  1.0
  P  P32  1  0.824  1.000  0.000  1.0
  P  P33  1  0.000  0.824  0.000  1.0
  P  P34  1  0.307  0.481  0.500  1.0
  P  P35  1  0.176  0.176  0.000  1.0
[/CIF]
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The compound described by Zr2Co4P3 crystallizes in the hexagonal P-62m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 13-coordinate geometry to two equivalent Co(1), two equivalent Co(4), four equivalent Co(2), one P(1), and four equivalent P(2) atoms. In the second Zr site, Zr(2) is bonded in a 15-coordinate geometry to three equivalent Co(1), six equivalent Co(2), and six equivalent P(2) atoms. In the third Zr site, Zr(3) is bonded in a 16-coordinate geometry to two equivalent Co(2), two equivalent Co(3), two equivalent Co(4), four equivalent Co(1), two equivalent P(1), and four equivalent P(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Zr(1), one Zr(2), two equivalent Zr(3), 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 one Zr(3), two equivalent Zr(1), two equivalent Zr(2), two equivalent P(1), and two equivalent P(2) atoms. In the third Co site, Co(3) is bonded in a distorted trigonal planar geometry to six equivalent Zr(3) and three equivalent P(3) atoms. In the fourth Co site, Co(4) is bonded in a 4-coordinate geometry to two equivalent Zr(1), two equivalent Zr(3), two equivalent P(2), and two equivalent P(3) atoms. There are three inequivalent P sites. In the first P site, P(3) is bonded in a 9-coordinate geometry to four equivalent Zr(3), one Co(3), two equivalent Co(1), and two equivalent Co(4) atoms. In the second P site, P(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(3), two equivalent Co(1), and four equivalent Co(2) atoms. In the third P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Co(4), two equivalent Co(1), and two equivalent Co(2) atoms. is represented by the CIF card [CIF]
data_Zr2Co4P3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.014
_cell_length_b   12.015
_cell_length_c   3.652
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.999
_symmetry_Int_Tables_number   1
_cell_volume   456.549
_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
  Zr  Zr0  1  0.443  0.443  0.000  1.0
  Zr  Zr1  1  0.557  1.000  0.000  1.0
  Zr  Zr2  1  0.000  0.557  0.000  1.0
  Zr  Zr3  1  0.667  0.333  0.000  1.0
  Zr  Zr4  1  0.333  0.667  0.000  1.0
  Zr  Zr5  1  0.825  0.825  0.500  1.0
  Zr  Zr6  1  0.175  1.000  0.500  1.0
  Zr  Zr7  1  0.000  0.175  0.500  1.0
  Co  Co8  1  0.193  0.373  0.000  1.0
  Co  Co9  1  0.180  0.807  0.000  1.0
  Co  Co10  1  0.820  0.627  0.000  1.0
  Co  Co11  1  0.807  0.180  0.000  1.0
  Co  Co12  1  0.373  0.193  0.000  1.0
  Co  Co13  1  0.126  0.482  0.500  1.0
  Co  Co14  1  0.356  0.874  0.500  1.0
  Co  Co15  1  0.518  0.644  0.500  1.0
  Co  Co16  1  0.644  0.518  0.500  1.0
  Co  Co17  1  0.874  0.356  0.500  1.0
  Co  Co18  1  0.482  0.126  0.500  1.0
  Co  Co19  1  0.000  1.000  0.000  1.0
  Co  Co20  1  0.722  1.000  0.500  1.0
  Co  Co21  1  0.000  0.722  0.500  1.0
  Co  Co22  1  0.627  0.820  0.000  1.0
  Co  Co23  1  0.278  0.278  0.500  1.0
  P  P24  1  0.654  0.654  0.000  1.0
  P  P25  1  0.346  1.000  0.000  1.0
  P  P26  1  1.000  0.346  0.000  1.0
  P  P27  1  0.481  0.307  0.500  1.0
  P  P28  1  0.693  0.174  0.500  1.0
  P  P29  1  0.826  0.519  0.500  1.0
  P  P30  1  0.519  0.826  0.500  1.0
  P  P31  1  0.174  0.693  0.500  1.0
  P  P32  1  0.824  1.000  0.000  1.0
  P  P33  1  0.000  0.824  0.000  1.0
  P  P34  1  0.307  0.481  0.500  1.0
  P  P35  1  0.176  0.176  0.000  1.0
[/CIF]
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