The material described by La2TiCo16 crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 19-coordinate geometry to one Co(5), three equivalent Co(2), three equivalent Co(3), six equivalent Co(1), and six equivalent Co(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to one Ti(1), three equivalent Co(2), three equivalent Co(4), six equivalent Co(1), and six equivalent Co(3) atoms. Ti(1) is bonded in a 14-coordinate geometry to one La(2), one Co(5), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one La(1), one La(2), one Ti(1), one Co(5), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent Co(4) atoms to form distorted CoLa2TiCo9 cuboctahedra that share corners with four equivalent Co(2)La2TiCo9 cuboctahedra, corners with four equivalent Co(4)La3Co9 cuboctahedra, corners with four equivalent Co(3)La3TiCo8 cuboctahedra, corners with twelve equivalent Co(1)La2TiCo9 cuboctahedra,  an edgeedge with one Co(1)La2TiCo9 cuboctahedra,  an edgeedge with one Co(4)La3Co9 cuboctahedra,  an edgeedge with one Co(3)La3TiCo8 cuboctahedra, edges with two equivalent Co(2)La2TiCo9 cuboctahedra, faces with four equivalent Co(2)La2TiCo9 cuboctahedra, faces with five equivalent Co(4)La3Co9 cuboctahedra, faces with five equivalent Co(3)La3TiCo8 cuboctahedra, and faces with seven equivalent Co(1)La2TiCo9 cuboctahedra. In the second Co site, Co(2) is bonded to one La(1), one La(2), one Ti(1), one Co(5), two equivalent Co(3), two equivalent Co(4), and four equivalent Co(1) atoms to form distorted CoLa2TiCo9 cuboctahedra that share corners with four equivalent Co(2)La2TiCo9 cuboctahedra, corners with five equivalent Co(4)La3Co9 cuboctahedra, corners with five equivalent Co(3)La3TiCo8 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(4)La3Co9 cuboctahedra, edges with three equivalent Co(3)La3TiCo8 cuboctahedra, edges with four equivalent Co(1)La2TiCo9 cuboctahedra, faces with three equivalent Co(4)La3Co9 cuboctahedra, faces with three equivalent Co(3)La3TiCo8 cuboctahedra, faces with four equivalent Co(2)La2TiCo9 cuboctahedra, and faces with eight equivalent Co(1)La2TiCo9 cuboctahedra. In the third Co site, Co(3) is bonded to one La(1), two equivalent La(2), one Ti(1), two equivalent Co(2), two equivalent Co(4), and four equivalent Co(1) atoms to form distorted CoLa3TiCo8 cuboctahedra that share corners with two equivalent Co(3)La3TiCo8 cuboctahedra, corners with five equivalent Co(2)La2TiCo9 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, corners with eight equivalent Co(4)La3Co9 cuboctahedra,  an edgeedge with one Co(4)La3Co9 cuboctahedra, edges with two equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(2)La2TiCo9 cuboctahedra, edges with four equivalent Co(3)La3TiCo8 cuboctahedra, faces with three equivalent Co(2)La2TiCo9 cuboctahedra, faces with three equivalent Co(4)La3Co9 cuboctahedra, faces with four equivalent Co(3)La3TiCo8 cuboctahedra, and faces with ten equivalent Co(1)La2TiCo9 cuboctahedra. In the fourth Co site, Co(4) is bonded to one La(2), two equivalent La(1), one Co(5), two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms to form CoLa3Co9 cuboctahedra that share corners with two equivalent Co(4)La3Co9 cuboctahedra, corners with five equivalent Co(2)La2TiCo9 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, corners with eight equivalent Co(3)La3TiCo8 cuboctahedra,  an edgeedge with one Co(3)La3TiCo8 cuboctahedra, edges with two equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(2)La2TiCo9 cuboctahedra, edges with four equivalent Co(4)La3Co9 cuboctahedra, faces with three equivalent Co(2)La2TiCo9 cuboctahedra, faces with three equivalent Co(3)La3TiCo8 cuboctahedra, faces with four equivalent Co(4)La3Co9 cuboctahedra, and faces with ten equivalent Co(1)La2TiCo9 cuboctahedra. In the fifth Co site, Co(5) is bonded in a distorted single-bond geometry to one La(1), one Ti(1), three equivalent Co(2), three equivalent Co(4), and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_La2TiCo16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.388
_cell_length_b   6.388
_cell_length_c   6.388
_cell_angle_alpha   83.147
_cell_angle_beta   83.147
_cell_angle_gamma   83.147
_symmetry_Int_Tables_number   1
_cell_volume   255.453
_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
  La  La0  1  0.655  0.655  0.655  1.0
  La  La1  1  0.351  0.351  0.351  1.0
  Ti  Ti2  1  0.093  0.093  0.093  1.0
  Co  Co3  1  0.712  0.998  0.287  1.0
  Co  Co4  1  0.998  0.287  0.712  1.0
  Co  Co5  1  0.287  0.712  0.998  1.0
  Co  Co6  1  0.998  0.712  0.287  1.0
  Co  Co7  1  0.712  0.287  0.998  1.0
  Co  Co8  1  0.287  0.998  0.712  1.0
  Co  Co9  1  0.998  0.505  0.998  1.0
  Co  Co10  1  0.505  0.998  0.998  1.0
  Co  Co11  1  0.998  0.998  0.505  1.0
  Co  Co12  1  0.343  0.343  0.852  1.0
  Co  Co13  1  0.343  0.852  0.343  1.0
  Co  Co14  1  0.852  0.343  0.343  1.0
  Co  Co15  1  0.659  0.659  0.146  1.0
  Co  Co16  1  0.659  0.146  0.659  1.0
  Co  Co17  1  0.146  0.659  0.659  1.0
  Co  Co18  1  0.902  0.902  0.902  1.0
[/CIF]
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The material described by La2TiCo16 crystallizes in the trigonal R3m space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 19-coordinate geometry to one Co(5), three equivalent Co(2), three equivalent Co(3), six equivalent Co(1), and six equivalent Co(4) atoms. In the second La site, La(2) is bonded in a 16-coordinate geometry to one Ti(1), three equivalent Co(2), three equivalent Co(4), six equivalent Co(1), and six equivalent Co(3) atoms. Ti(1) is bonded in a 14-coordinate geometry to one La(2), one Co(5), three equivalent Co(2), three equivalent Co(3), and six equivalent Co(1) atoms. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded to one La(1), one La(2), one Ti(1), one Co(5), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), and two equivalent Co(4) atoms to form distorted CoLa2TiCo9 cuboctahedra that share corners with four equivalent Co(2)La2TiCo9 cuboctahedra, corners with four equivalent Co(4)La3Co9 cuboctahedra, corners with four equivalent Co(3)La3TiCo8 cuboctahedra, corners with twelve equivalent Co(1)La2TiCo9 cuboctahedra,  an edgeedge with one Co(1)La2TiCo9 cuboctahedra,  an edgeedge with one Co(4)La3Co9 cuboctahedra,  an edgeedge with one Co(3)La3TiCo8 cuboctahedra, edges with two equivalent Co(2)La2TiCo9 cuboctahedra, faces with four equivalent Co(2)La2TiCo9 cuboctahedra, faces with five equivalent Co(4)La3Co9 cuboctahedra, faces with five equivalent Co(3)La3TiCo8 cuboctahedra, and faces with seven equivalent Co(1)La2TiCo9 cuboctahedra. In the second Co site, Co(2) is bonded to one La(1), one La(2), one Ti(1), one Co(5), two equivalent Co(3), two equivalent Co(4), and four equivalent Co(1) atoms to form distorted CoLa2TiCo9 cuboctahedra that share corners with four equivalent Co(2)La2TiCo9 cuboctahedra, corners with five equivalent Co(4)La3Co9 cuboctahedra, corners with five equivalent Co(3)La3TiCo8 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(4)La3Co9 cuboctahedra, edges with three equivalent Co(3)La3TiCo8 cuboctahedra, edges with four equivalent Co(1)La2TiCo9 cuboctahedra, faces with three equivalent Co(4)La3Co9 cuboctahedra, faces with three equivalent Co(3)La3TiCo8 cuboctahedra, faces with four equivalent Co(2)La2TiCo9 cuboctahedra, and faces with eight equivalent Co(1)La2TiCo9 cuboctahedra. In the third Co site, Co(3) is bonded to one La(1), two equivalent La(2), one Ti(1), two equivalent Co(2), two equivalent Co(4), and four equivalent Co(1) atoms to form distorted CoLa3TiCo8 cuboctahedra that share corners with two equivalent Co(3)La3TiCo8 cuboctahedra, corners with five equivalent Co(2)La2TiCo9 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, corners with eight equivalent Co(4)La3Co9 cuboctahedra,  an edgeedge with one Co(4)La3Co9 cuboctahedra, edges with two equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(2)La2TiCo9 cuboctahedra, edges with four equivalent Co(3)La3TiCo8 cuboctahedra, faces with three equivalent Co(2)La2TiCo9 cuboctahedra, faces with three equivalent Co(4)La3Co9 cuboctahedra, faces with four equivalent Co(3)La3TiCo8 cuboctahedra, and faces with ten equivalent Co(1)La2TiCo9 cuboctahedra. In the fourth Co site, Co(4) is bonded to one La(2), two equivalent La(1), one Co(5), two equivalent Co(2), two equivalent Co(3), and four equivalent Co(1) atoms to form CoLa3Co9 cuboctahedra that share corners with two equivalent Co(4)La3Co9 cuboctahedra, corners with five equivalent Co(2)La2TiCo9 cuboctahedra, corners with eight equivalent Co(1)La2TiCo9 cuboctahedra, corners with eight equivalent Co(3)La3TiCo8 cuboctahedra,  an edgeedge with one Co(3)La3TiCo8 cuboctahedra, edges with two equivalent Co(1)La2TiCo9 cuboctahedra, edges with three equivalent Co(2)La2TiCo9 cuboctahedra, edges with four equivalent Co(4)La3Co9 cuboctahedra, faces with three equivalent Co(2)La2TiCo9 cuboctahedra, faces with three equivalent Co(3)La3TiCo8 cuboctahedra, faces with four equivalent Co(4)La3Co9 cuboctahedra, and faces with ten equivalent Co(1)La2TiCo9 cuboctahedra. In the fifth Co site, Co(5) is bonded in a distorted single-bond geometry to one La(1), one Ti(1), three equivalent Co(2), three equivalent Co(4), and six equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_La2TiCo16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.388
_cell_length_b   6.388
_cell_length_c   6.388
_cell_angle_alpha   83.147
_cell_angle_beta   83.147
_cell_angle_gamma   83.147
_symmetry_Int_Tables_number   1
_cell_volume   255.453
_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
  La  La0  1  0.655  0.655  0.655  1.0
  La  La1  1  0.351  0.351  0.351  1.0
  Ti  Ti2  1  0.093  0.093  0.093  1.0
  Co  Co3  1  0.712  0.998  0.287  1.0
  Co  Co4  1  0.998  0.287  0.712  1.0
  Co  Co5  1  0.287  0.712  0.998  1.0
  Co  Co6  1  0.998  0.712  0.287  1.0
  Co  Co7  1  0.712  0.287  0.998  1.0
  Co  Co8  1  0.287  0.998  0.712  1.0
  Co  Co9  1  0.998  0.505  0.998  1.0
  Co  Co10  1  0.505  0.998  0.998  1.0
  Co  Co11  1  0.998  0.998  0.505  1.0
  Co  Co12  1  0.343  0.343  0.852  1.0
  Co  Co13  1  0.343  0.852  0.343  1.0
  Co  Co14  1  0.852  0.343  0.343  1.0
  Co  Co15  1  0.659  0.659  0.146  1.0
  Co  Co16  1  0.659  0.146  0.659  1.0
  Co  Co17  1  0.146  0.659  0.659  1.0
  Co  Co18  1  0.902  0.902  0.902  1.0
[/CIF]
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