The material described by Y4Co16B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent Co(3) and three equivalent Co(4) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), one Co(3), one Co(4), one B(2), and one C(1) atom. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(3), one Co(3), one Co(4), one B(1), and one B(3) atom. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Y4Co16B3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   13.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   294.701
_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
  Y  Y0  1  0.333  0.667  0.749  1.0
  Y  Y1  1  0.333  0.667  0.251  1.0
  Y  Y2  1  0.333  0.667  0.500  1.0
  Y  Y3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.337  0.169  0.601  1.0
  Co  Co5  1  0.333  0.166  0.106  1.0
  Co  Co6  1  0.831  0.169  0.601  1.0
  Co  Co7  1  0.834  0.166  0.106  1.0
  Co  Co8  1  0.831  0.663  0.601  1.0
  Co  Co9  1  0.834  0.667  0.106  1.0
  Co  Co10  1  0.337  0.169  0.399  1.0
  Co  Co11  1  0.333  0.166  0.894  1.0
  Co  Co12  1  0.831  0.169  0.399  1.0
  Co  Co13  1  0.834  0.166  0.894  1.0
  Co  Co14  1  0.831  0.663  0.399  1.0
  Co  Co15  1  0.834  0.667  0.894  1.0
  Co  Co16  1  0.667  0.333  0.750  1.0
  Co  Co17  1  0.667  0.333  0.250  1.0
  Co  Co18  1  0.000  0.000  0.747  1.0
  Co  Co19  1  0.000  0.000  0.253  1.0
  B  B20  1  0.667  0.333  0.000  1.0
  B  B21  1  0.000  0.000  0.500  1.0
  B  B22  1  0.000  0.000  0.000  1.0
  C  C23  1  0.667  0.333  0.500  1.0
[/CIF]
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The material described by Y4Co16B3C crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to three equivalent Co(3) and three equivalent Co(4) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Co(1), three equivalent B(2), and three equivalent C(1) atoms. In the third Y site, Y(3) is bonded in a 18-coordinate geometry to twelve equivalent Co(2), three equivalent B(1), and three equivalent B(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), one Co(3), one Co(4), one B(2), and one C(1) atom. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(3), one Co(3), one Co(4), one B(1), and one B(3) atom. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Co(1), and three equivalent Co(2) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. In the third B site, B(3) is bonded in a 6-coordinate geometry to three equivalent Y(3) and six equivalent Co(2) atoms. C(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_Y4Co16B3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.021
_cell_length_b   5.021
_cell_length_c   13.500
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   294.701
_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
  Y  Y0  1  0.333  0.667  0.749  1.0
  Y  Y1  1  0.333  0.667  0.251  1.0
  Y  Y2  1  0.333  0.667  0.500  1.0
  Y  Y3  1  0.333  0.667  0.000  1.0
  Co  Co4  1  0.337  0.169  0.601  1.0
  Co  Co5  1  0.333  0.166  0.106  1.0
  Co  Co6  1  0.831  0.169  0.601  1.0
  Co  Co7  1  0.834  0.166  0.106  1.0
  Co  Co8  1  0.831  0.663  0.601  1.0
  Co  Co9  1  0.834  0.667  0.106  1.0
  Co  Co10  1  0.337  0.169  0.399  1.0
  Co  Co11  1  0.333  0.166  0.894  1.0
  Co  Co12  1  0.831  0.169  0.399  1.0
  Co  Co13  1  0.834  0.166  0.894  1.0
  Co  Co14  1  0.831  0.663  0.399  1.0
  Co  Co15  1  0.834  0.667  0.894  1.0
  Co  Co16  1  0.667  0.333  0.750  1.0
  Co  Co17  1  0.667  0.333  0.250  1.0
  Co  Co18  1  0.000  0.000  0.747  1.0
  Co  Co19  1  0.000  0.000  0.253  1.0
  B  B20  1  0.667  0.333  0.000  1.0
  B  B21  1  0.000  0.000  0.500  1.0
  B  B22  1  0.000  0.000  0.000  1.0
  C  C23  1  0.667  0.333  0.500  1.0
[/CIF]
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