The material structure described by Ce2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Ce(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted corner-sharing CoCeP4 tetrahedra. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(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 Ce(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF file [CIF]
data_Ce2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.020
_cell_length_b   9.020
_cell_length_c   3.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   255.950
_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
  Ce  Ce0  1  0.333  0.667  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.729  0.961  0.000  1.0
  Co  Co3  1  0.232  0.271  0.000  1.0
  Co  Co4  1  0.039  0.768  0.000  1.0
  Co  Co5  1  0.939  0.453  0.000  1.0
  Co  Co6  1  0.513  0.061  0.000  1.0
  Co  Co7  1  0.547  0.487  0.000  1.0
  Co  Co8  1  0.101  0.386  0.500  1.0
  Co  Co9  1  0.285  0.899  0.500  1.0
  Co  Co10  1  0.614  0.715  0.500  1.0
  Co  Co11  1  0.765  0.209  0.500  1.0
  Co  Co12  1  0.444  0.235  0.500  1.0
  Co  Co13  1  0.791  0.556  0.500  1.0
  P  P14  1  0.962  0.225  0.000  1.0
  P  P15  1  0.263  0.038  0.000  1.0
  P  P16  1  0.775  0.737  0.000  1.0
  P  P17  1  0.063  0.624  0.500  1.0
  P  P18  1  0.561  0.937  0.500  1.0
  P  P19  1  0.376  0.439  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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The material structure described by Ce2Co12P7 crystallizes in the hexagonal P-6 space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to three equivalent Co(1), three equivalent Co(2), six equivalent Co(3), and six equivalent P(2) atoms. In the second Ce site, Ce(2) is bonded in a 12-coordinate geometry to six equivalent Co(1) and six equivalent P(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to one Ce(1), two equivalent Ce(2), two equivalent P(1), and two equivalent P(2) atoms. In the second Co site, Co(2) is bonded to one Ce(1), one P(1), one P(3), and two equivalent P(2) atoms to form distorted corner-sharing CoCeP4 tetrahedra. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to two equivalent Ce(1), two equivalent P(1), and two equivalent P(2) atoms. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one P(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 Ce(2), one Co(2), two equivalent Co(1), two equivalent Co(3), and two equivalent Co(4) atoms. In the second P site, P(2) is bonded in a 9-coordinate geometry to two equivalent Ce(1), one Co(4), two equivalent Co(1), two equivalent Co(2), and two equivalent Co(3) atoms. In the third P site, P(3) is bonded in a 9-coordinate geometry to three equivalent Co(2) and six equivalent Co(4) atoms. is represented by the CIF file [CIF]
data_Ce2Co12P7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.020
_cell_length_b   9.020
_cell_length_c   3.633
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   255.950
_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
  Ce  Ce0  1  0.333  0.667  0.000  1.0
  Ce  Ce1  1  0.000  0.000  0.500  1.0
  Co  Co2  1  0.729  0.961  0.000  1.0
  Co  Co3  1  0.232  0.271  0.000  1.0
  Co  Co4  1  0.039  0.768  0.000  1.0
  Co  Co5  1  0.939  0.453  0.000  1.0
  Co  Co6  1  0.513  0.061  0.000  1.0
  Co  Co7  1  0.547  0.487  0.000  1.0
  Co  Co8  1  0.101  0.386  0.500  1.0
  Co  Co9  1  0.285  0.899  0.500  1.0
  Co  Co10  1  0.614  0.715  0.500  1.0
  Co  Co11  1  0.765  0.209  0.500  1.0
  Co  Co12  1  0.444  0.235  0.500  1.0
  Co  Co13  1  0.791  0.556  0.500  1.0
  P  P14  1  0.962  0.225  0.000  1.0
  P  P15  1  0.263  0.038  0.000  1.0
  P  P16  1  0.775  0.737  0.000  1.0
  P  P17  1  0.063  0.624  0.500  1.0
  P  P18  1  0.561  0.937  0.500  1.0
  P  P19  1  0.376  0.439  0.500  1.0
  P  P20  1  0.667  0.333  0.000  1.0
[/CIF]
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