The material structure described by Ca(AlSn)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Sn(1) atoms to form CaSn6 octahedra that share corners with twelve equivalent Al(1)Sn4 tetrahedra, edges with six equivalent Ca(1)Sn6 octahedra, and edges with six equivalent Al(1)Sn4 tetrahedra. Al(1) is bonded to four equivalent Sn(1) atoms to form AlSn4 tetrahedra that share corners with six equivalent Ca(1)Sn6 octahedra, corners with six equivalent Al(1)Sn4 tetrahedra, edges with three equivalent Ca(1)Sn6 octahedra, and edges with three equivalent Al(1)Sn4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. Sn(1) is bonded to three equivalent Ca(1) and four equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SnCa3Al4 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Ca(AlSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.537
_cell_length_b   4.537
_cell_length_c   7.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   134.563
_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  0.371  1.0
  Al  Al2  1  0.333  0.667  0.629  1.0
  Sn  Sn3  1  0.667  0.333  0.745  1.0
  Sn  Sn4  1  0.333  0.667  0.255  1.0
[/CIF]
.
The material structure described by Ca(AlSn)2 crystallizes in the trigonal P-3m1 space group. Ca(1) is bonded to six equivalent Sn(1) atoms to form CaSn6 octahedra that share corners with twelve equivalent Al(1)Sn4 tetrahedra, edges with six equivalent Ca(1)Sn6 octahedra, and edges with six equivalent Al(1)Sn4 tetrahedra. Al(1) is bonded to four equivalent Sn(1) atoms to form AlSn4 tetrahedra that share corners with six equivalent Ca(1)Sn6 octahedra, corners with six equivalent Al(1)Sn4 tetrahedra, edges with three equivalent Ca(1)Sn6 octahedra, and edges with three equivalent Al(1)Sn4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-54°. Sn(1) is bonded to three equivalent Ca(1) and four equivalent Al(1) atoms to form a mixture of distorted edge and corner-sharing SnCa3Al4 pentagonal bipyramids. is represented by the CIF file [CIF]
data_Ca(AlSn)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.537
_cell_length_b   4.537
_cell_length_c   7.549
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   134.563
_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  0.371  1.0
  Al  Al2  1  0.333  0.667  0.629  1.0
  Sn  Sn3  1  0.667  0.333  0.745  1.0
  Sn  Sn4  1  0.333  0.667  0.255  1.0
[/CIF]
.