The compound described by W9Al3CoC3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Co(1), three equivalent Al(1), and two equivalent C(1) atoms. In the second W site, W(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1) and two equivalent C(1) atoms. Co(1) is bonded to six equivalent W(1) and six equivalent Al(1) atoms to form CoAl6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra, faces with two equivalent Co(1)Al6W6 cuboctahedra, and faces with six equivalent Al(1)Al2Co2W8 cuboctahedra. Al(1) is bonded to two equivalent W(2), six equivalent W(1), two equivalent Co(1), and two equivalent Al(1) atoms to form distorted AlAl2Co2W8 cuboctahedra that share corners with four equivalent Al(1)Al2Co2W8 cuboctahedra, corners with four equivalent C(1)W6 octahedra, faces with two equivalent Co(1)Al6W6 cuboctahedra, faces with six equivalent Al(1)Al2Co2W8 cuboctahedra, and faces with four equivalent C(1)W6 octahedra. The corner-sharing octahedral tilt angles are 39°. C(1) is bonded to two equivalent W(2) and four equivalent W(1) atoms to form CW6 octahedra that share corners with four equivalent Al(1)Al2Co2W8 cuboctahedra, corners with six equivalent C(1)W6 octahedra, edges with two equivalent Co(1)Al6W6 cuboctahedra, and faces with four equivalent Al(1)Al2Co2W8 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-46°. is represented by the CIF file [CIF]
data_Al3Co(W3C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.947
_cell_length_b   7.947
_cell_length_c   7.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   429.612
_cell_formula_units_Z   2
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
  Al  Al0  1  0.110  0.890  0.250  1.0
  Al  Al1  1  0.110  0.221  0.250  1.0
  Al  Al2  1  0.779  0.890  0.250  1.0
  Al  Al3  1  0.890  0.110  0.750  1.0
  Al  Al4  1  0.890  0.779  0.750  1.0
  Al  Al5  1  0.221  0.110  0.750  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  W  W8  1  0.797  0.203  0.429  1.0
  W  W9  1  0.797  0.594  0.429  1.0
  W  W10  1  0.406  0.203  0.429  1.0
  W  W11  1  0.203  0.797  0.571  1.0
  W  W12  1  0.203  0.406  0.571  1.0
  W  W13  1  0.594  0.797  0.571  1.0
  W  W14  1  0.203  0.797  0.929  1.0
  W  W15  1  0.203  0.406  0.929  1.0
  W  W16  1  0.594  0.797  0.929  1.0
  W  W17  1  0.797  0.203  0.071  1.0
  W  W18  1  0.797  0.594  0.071  1.0
  W  W19  1  0.406  0.203  0.071  1.0
  W  W20  1  0.551  0.449  0.750  1.0
  W  W21  1  0.551  0.103  0.750  1.0
  W  W22  1  0.897  0.449  0.750  1.0
  W  W23  1  0.449  0.551  0.250  1.0
  W  W24  1  0.449  0.897  0.250  1.0
  W  W25  1  0.103  0.551  0.250  1.0
  C  C26  1  0.000  0.500  0.500  1.0
  C  C27  1  0.500  0.500  0.500  1.0
  C  C28  1  0.500  0.000  0.500  1.0
  C  C29  1  0.000  0.500  0.000  1.0
  C  C30  1  0.500  0.500  0.000  1.0
  C  C31  1  0.500  0.000  0.000  1.0
[/CIF]
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The compound described by W9Al3CoC3 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent W sites. In the first W site, W(1) is bonded in a 2-coordinate geometry to one Co(1), three equivalent Al(1), and two equivalent C(1) atoms. In the second W site, W(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Al(1) and two equivalent C(1) atoms. Co(1) is bonded to six equivalent W(1) and six equivalent Al(1) atoms to form CoAl6W6 cuboctahedra that share edges with six equivalent C(1)W6 octahedra, faces with two equivalent Co(1)Al6W6 cuboctahedra, and faces with six equivalent Al(1)Al2Co2W8 cuboctahedra. Al(1) is bonded to two equivalent W(2), six equivalent W(1), two equivalent Co(1), and two equivalent Al(1) atoms to form distorted AlAl2Co2W8 cuboctahedra that share corners with four equivalent Al(1)Al2Co2W8 cuboctahedra, corners with four equivalent C(1)W6 octahedra, faces with two equivalent Co(1)Al6W6 cuboctahedra, faces with six equivalent Al(1)Al2Co2W8 cuboctahedra, and faces with four equivalent C(1)W6 octahedra. The corner-sharing octahedral tilt angles are 39°. C(1) is bonded to two equivalent W(2) and four equivalent W(1) atoms to form CW6 octahedra that share corners with four equivalent Al(1)Al2Co2W8 cuboctahedra, corners with six equivalent C(1)W6 octahedra, edges with two equivalent Co(1)Al6W6 cuboctahedra, and faces with four equivalent Al(1)Al2Co2W8 cuboctahedra. The corner-sharing octahedral tilt angles range from 40-46°. is represented by the CIF file [CIF]
data_Al3Co(W3C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.947
_cell_length_b   7.947
_cell_length_c   7.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   429.612
_cell_formula_units_Z   2
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
  Al  Al0  1  0.110  0.890  0.250  1.0
  Al  Al1  1  0.110  0.221  0.250  1.0
  Al  Al2  1  0.779  0.890  0.250  1.0
  Al  Al3  1  0.890  0.110  0.750  1.0
  Al  Al4  1  0.890  0.779  0.750  1.0
  Al  Al5  1  0.221  0.110  0.750  1.0
  Co  Co6  1  0.000  0.000  0.500  1.0
  Co  Co7  1  0.000  0.000  0.000  1.0
  W  W8  1  0.797  0.203  0.429  1.0
  W  W9  1  0.797  0.594  0.429  1.0
  W  W10  1  0.406  0.203  0.429  1.0
  W  W11  1  0.203  0.797  0.571  1.0
  W  W12  1  0.203  0.406  0.571  1.0
  W  W13  1  0.594  0.797  0.571  1.0
  W  W14  1  0.203  0.797  0.929  1.0
  W  W15  1  0.203  0.406  0.929  1.0
  W  W16  1  0.594  0.797  0.929  1.0
  W  W17  1  0.797  0.203  0.071  1.0
  W  W18  1  0.797  0.594  0.071  1.0
  W  W19  1  0.406  0.203  0.071  1.0
  W  W20  1  0.551  0.449  0.750  1.0
  W  W21  1  0.551  0.103  0.750  1.0
  W  W22  1  0.897  0.449  0.750  1.0
  W  W23  1  0.449  0.551  0.250  1.0
  W  W24  1  0.449  0.897  0.250  1.0
  W  W25  1  0.103  0.551  0.250  1.0
  C  C26  1  0.000  0.500  0.500  1.0
  C  C27  1  0.500  0.500  0.500  1.0
  C  C28  1  0.500  0.000  0.500  1.0
  C  C29  1  0.000  0.500  0.000  1.0
  C  C30  1  0.500  0.500  0.000  1.0
  C  C31  1  0.500  0.000  0.000  1.0
[/CIF]
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