The material described by Ca(AlSb)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Al(1) and six equivalent Sb(1) atoms to form face-sharing CaAl6Sb6 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to three equivalent Ca(1) and five equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to three equivalent Ca(1) and five equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Ca(AlSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.981
_cell_length_c   6.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.881
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.284  1.0
  Al  Al2  1  0.333  0.667  0.716  1.0
  Sb  Sb3  1  0.667  0.333  0.738  1.0
  Sb  Sb4  1  0.333  0.667  0.262  1.0
[/CIF]
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The material described by Ca(AlSb)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Al(1) and six equivalent Sb(1) atoms to form face-sharing CaAl6Sb6 cuboctahedra. Al(1) is bonded in a 8-coordinate geometry to three equivalent Ca(1) and five equivalent Sb(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to three equivalent Ca(1) and five equivalent Al(1) atoms. is represented by the CIF card [CIF]
data_Ca(AlSb)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.981
_cell_length_c   6.044
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   129.881
_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
  Ca  Ca0  1  0.000  0.000  0.000  1.0
  Al  Al1  1  0.667  0.333  0.284  1.0
  Al  Al2  1  0.333  0.667  0.716  1.0
  Sb  Sb3  1  0.667  0.333  0.738  1.0
  Sb  Sb4  1  0.333  0.667  0.262  1.0
[/CIF]
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