The structure described by TiCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve equivalent Cd(1) atoms to form TiCd12 cuboctahedra that share corners with six equivalent Ti(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra, edges with eighteen equivalent Cd(1)Ti4Cd8 cuboctahedra, faces with eight equivalent Ti(1)Cd12 cuboctahedra, and faces with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra. Cd(1) is bonded to four equivalent Ti(1) and eight equivalent Cd(1) atoms to form distorted CdTi4Cd8 cuboctahedra that share corners with four equivalent Ti(1)Cd12 cuboctahedra, corners with fourteen equivalent Cd(1)Ti4Cd8 cuboctahedra, edges with six equivalent Ti(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra, faces with four equivalent Ti(1)Cd12 cuboctahedra, and faces with sixteen equivalent Cd(1)Ti4Cd8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   4.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.012
_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
  Ti  Ti0  1  0.333  0.667  0.750  1.0
  Ti  Ti1  1  0.667  0.333  0.250  1.0
  Cd  Cd2  1  0.170  0.340  0.250  1.0
  Cd  Cd3  1  0.660  0.830  0.250  1.0
  Cd  Cd4  1  0.170  0.830  0.250  1.0
  Cd  Cd5  1  0.830  0.660  0.750  1.0
  Cd  Cd6  1  0.340  0.170  0.750  1.0
  Cd  Cd7  1  0.830  0.170  0.750  1.0
[/CIF]
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The structure described by TiCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded to twelve equivalent Cd(1) atoms to form TiCd12 cuboctahedra that share corners with six equivalent Ti(1)Cd12 cuboctahedra, corners with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra, edges with eighteen equivalent Cd(1)Ti4Cd8 cuboctahedra, faces with eight equivalent Ti(1)Cd12 cuboctahedra, and faces with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra. Cd(1) is bonded to four equivalent Ti(1) and eight equivalent Cd(1) atoms to form distorted CdTi4Cd8 cuboctahedra that share corners with four equivalent Ti(1)Cd12 cuboctahedra, corners with fourteen equivalent Cd(1)Ti4Cd8 cuboctahedra, edges with six equivalent Ti(1)Cd12 cuboctahedra, edges with twelve equivalent Cd(1)Ti4Cd8 cuboctahedra, faces with four equivalent Ti(1)Cd12 cuboctahedra, and faces with sixteen equivalent Cd(1)Ti4Cd8 cuboctahedra. is represented by the CIF card [CIF]
data_TiCd3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.203
_cell_length_b   6.203
_cell_length_c   4.832
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   161.012
_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
  Ti  Ti0  1  0.333  0.667  0.750  1.0
  Ti  Ti1  1  0.667  0.333  0.250  1.0
  Cd  Cd2  1  0.170  0.340  0.250  1.0
  Cd  Cd3  1  0.660  0.830  0.250  1.0
  Cd  Cd4  1  0.170  0.830  0.250  1.0
  Cd  Cd5  1  0.830  0.660  0.750  1.0
  Cd  Cd6  1  0.340  0.170  0.750  1.0
  Cd  Cd7  1  0.830  0.170  0.750  1.0
[/CIF]
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