The structure described by La(CdAs)3 crystallizes in the monoclinic Pm space group. La(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form LaAs6 octahedra that share corners with three equivalent Cd(1)As4 tetrahedra, corners with three equivalent Cd(2)As4 tetrahedra, edges with six equivalent La(1)As6 octahedra, edges with three equivalent Cd(1)As4 tetrahedra, and edges with three equivalent Cd(2)As4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(4) and three equivalent As(2) atoms to form CdAs4 tetrahedra that share corners with three equivalent La(1)As6 octahedra, corners with seven equivalent Cd(1)As4 tetrahedra, and edges with three equivalent La(1)As6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Cd site, Cd(2) is bonded to one As(3) and three equivalent As(1) atoms to form CdAs4 tetrahedra that share corners with three equivalent La(1)As6 octahedra, corners with seven equivalent Cd(2)As4 tetrahedra, and edges with three equivalent La(1)As6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Cd site, Cd(3) is bonded in a trigonal planar geometry to three equivalent As(3) atoms. In the fourth Cd site, Cd(4) is bonded in a trigonal planar geometry to three equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded to three equivalent La(1) and three equivalent Cd(2) atoms to form AsLa3Cd3 octahedra that share corners with three equivalent As(2)La3Cd3 octahedra, corners with three equivalent As(3)Cd5 trigonal bipyramids, edges with three equivalent As(2)La3Cd3 octahedra, and edges with six equivalent As(1)La3Cd3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent La(1) and three equivalent Cd(1) atoms to form AsLa3Cd3 octahedra that share corners with three equivalent As(1)La3Cd3 octahedra, corners with three equivalent As(4)Cd5 trigonal bipyramids, edges with three equivalent As(1)La3Cd3 octahedra, and edges with six equivalent As(2)La3Cd3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded to two equivalent Cd(2) and three equivalent Cd(3) atoms to form AsCd5 trigonal bipyramids that share corners with six equivalent As(1)La3Cd3 octahedra and corners with six equivalent As(3)Cd5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-71°. In the fourth As site, As(4) is bonded to two equivalent Cd(1) and three equivalent Cd(4) atoms to form AsCd5 trigonal bipyramids that share corners with six equivalent As(2)La3Cd3 octahedra and corners with six equivalent As(4)Cd5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-71°. is represented by the CIF card [CIF]
data_La(CdAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.448
_cell_length_b   4.449
_cell_length_c   21.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.065
_symmetry_Int_Tables_number   1
_cell_volume   371.115
_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
  La  La0  1  0.003  0.002  0.500  1.0
  La  La1  1  0.003  0.002  0.000  1.0
  Cd  Cd2  1  0.667  0.332  0.127  1.0
  Cd  Cd3  1  0.333  0.667  0.873  1.0
  Cd  Cd4  1  0.333  0.667  0.627  1.0
  Cd  Cd5  1  0.667  0.332  0.373  1.0
  Cd  Cd6  1  0.728  0.367  0.750  1.0
  Cd  Cd7  1  0.363  0.730  0.250  1.0
  As  As8  1  0.668  0.335  0.579  1.0
  As  As9  1  0.335  0.668  0.421  1.0
  As  As10  1  0.335  0.668  0.079  1.0
  As  As11  1  0.668  0.335  0.921  1.0
  As  As12  1  0.399  0.702  0.750  1.0
  As  As13  1  0.698  0.400  0.250  1.0
[/CIF]
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The structure described by La(CdAs)3 crystallizes in the monoclinic Pm space group. La(1) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form LaAs6 octahedra that share corners with three equivalent Cd(1)As4 tetrahedra, corners with three equivalent Cd(2)As4 tetrahedra, edges with six equivalent La(1)As6 octahedra, edges with three equivalent Cd(1)As4 tetrahedra, and edges with three equivalent Cd(2)As4 tetrahedra. There are four inequivalent Cd sites. In the first Cd site, Cd(1) is bonded to one As(4) and three equivalent As(2) atoms to form CdAs4 tetrahedra that share corners with three equivalent La(1)As6 octahedra, corners with seven equivalent Cd(1)As4 tetrahedra, and edges with three equivalent La(1)As6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the second Cd site, Cd(2) is bonded to one As(3) and three equivalent As(1) atoms to form CdAs4 tetrahedra that share corners with three equivalent La(1)As6 octahedra, corners with seven equivalent Cd(2)As4 tetrahedra, and edges with three equivalent La(1)As6 octahedra. The corner-sharing octahedral tilt angles are 12°. In the third Cd site, Cd(3) is bonded in a trigonal planar geometry to three equivalent As(3) atoms. In the fourth Cd site, Cd(4) is bonded in a trigonal planar geometry to three equivalent As(4) atoms. There are four inequivalent As sites. In the first As site, As(1) is bonded to three equivalent La(1) and three equivalent Cd(2) atoms to form AsLa3Cd3 octahedra that share corners with three equivalent As(2)La3Cd3 octahedra, corners with three equivalent As(3)Cd5 trigonal bipyramids, edges with three equivalent As(2)La3Cd3 octahedra, and edges with six equivalent As(1)La3Cd3 octahedra. The corner-sharing octahedra are not tilted. In the second As site, As(2) is bonded to three equivalent La(1) and three equivalent Cd(1) atoms to form AsLa3Cd3 octahedra that share corners with three equivalent As(1)La3Cd3 octahedra, corners with three equivalent As(4)Cd5 trigonal bipyramids, edges with three equivalent As(1)La3Cd3 octahedra, and edges with six equivalent As(2)La3Cd3 octahedra. The corner-sharing octahedra are not tilted. In the third As site, As(3) is bonded to two equivalent Cd(2) and three equivalent Cd(3) atoms to form AsCd5 trigonal bipyramids that share corners with six equivalent As(1)La3Cd3 octahedra and corners with six equivalent As(3)Cd5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 63-71°. In the fourth As site, As(4) is bonded to two equivalent Cd(1) and three equivalent Cd(4) atoms to form AsCd5 trigonal bipyramids that share corners with six equivalent As(2)La3Cd3 octahedra and corners with six equivalent As(4)Cd5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 62-71°. is represented by the CIF card [CIF]
data_La(CdAs)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.448
_cell_length_b   4.449
_cell_length_c   21.669
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.065
_symmetry_Int_Tables_number   1
_cell_volume   371.115
_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
  La  La0  1  0.003  0.002  0.500  1.0
  La  La1  1  0.003  0.002  0.000  1.0
  Cd  Cd2  1  0.667  0.332  0.127  1.0
  Cd  Cd3  1  0.333  0.667  0.873  1.0
  Cd  Cd4  1  0.333  0.667  0.627  1.0
  Cd  Cd5  1  0.667  0.332  0.373  1.0
  Cd  Cd6  1  0.728  0.367  0.750  1.0
  Cd  Cd7  1  0.363  0.730  0.250  1.0
  As  As8  1  0.668  0.335  0.579  1.0
  As  As9  1  0.335  0.668  0.421  1.0
  As  As10  1  0.335  0.668  0.079  1.0
  As  As11  1  0.668  0.335  0.921  1.0
  As  As12  1  0.399  0.702  0.750  1.0
  As  As13  1  0.698  0.400  0.250  1.0
[/CIF]
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